data_global
#==============================================================================

# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic      2018-05-31
_journal_date_to_coeditor         ?
_journal_date_from_coeditor       ?
_journal_date_accepted     2018-08-10
_journal_date_printers_first      ?
_journal_date_printers_final      ?
_journal_date_proofs_out          ?
_journal_date_proofs_in           ?
_journal_coeditor_name            ?
_journal_coeditor_code      LO5030SUP1
_journal_coeditor_notes
; ?
;
_journal_paper_category      FA
_journal_techeditor_code      B181142
_iucr_compatibility_tag          ACTA95
_journal_techeditor_notes  
;
;
_journal_coden_ASTM               ?
_journal_name_full                ?
_journal_year                     ?
_journal_volume                   ?
_journal_issue                    ?
_journal_page_first               ?
_journal_page_last                ?
_journal_suppl_publ_number        ?
_journal_suppl_publ_pages         ?

#==============================================================================

data_I
#data_crystal_X_RT
_database_code_depnum_ccdc_archive 'CCDC 1861363' 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'H0 Na2 O14 Si4 V' 
_chemical_formula_weight          433.28

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Na'  'Na'   0.0362   0.0249
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0817   0.0704
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'V'  'V'   0.3005   0.5294
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            4
_space_group_name_H-M_alt         'P 21'
_space_group_name_Hall            'P 2yb'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z'
 
_cell_length_a                    14.3328(7)
_cell_length_b                    9.1209(4)
_cell_length_c                    10.3732(5)
_cell_angle_alpha                 90
_cell_angle_beta                  90.007(2)
_cell_angle_gamma                 90
_cell_volume                      1356.07(11)
_cell_formula_units_Z             4
_cell_measurement_temperature     304(2)
_cell_measurement_reflns_used     29173
_cell_measurement_theta_min       1.6
_cell_measurement_theta_max       26.372
 
_exptl_crystal_description        prismatic
_exptl_crystal_colour             blue
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     2.122          
_exptl_crystal_F_000              852
_exptl_transmission_factor_min    0.6152
_exptl_transmission_factor_max    0.7456
_exptl_crystal_size_max           0.10
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.03
_exptl_absorpt_coefficient_mu     1.217
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    '(SADABS; Bruker, 2003)'
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       304(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker D8 Venture'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             29173
_diffrn_reflns_av_unetI/netI      0.0579
_diffrn_reflns_av_R_equivalents   0.0781
_diffrn_reflns_limit_h_min        -17
_diffrn_reflns_limit_h_max        17
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -12
_diffrn_reflns_limit_l_max        12
_diffrn_reflns_theta_min          2.233
_diffrn_reflns_theta_max          26.372
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.999
_diffrn_measured_fraction_theta_full  0.999
_diffrn_reflns_Laue_measured_fraction_max    0.999
_diffrn_reflns_Laue_measured_fraction_full   0.999
_diffrn_reflns_point_group_measured_fraction_max   1.000
_diffrn_reflns_point_group_measured_fraction_full  1.000
_reflns_number_total              5549
_reflns_number_gt                 4686
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.878
_reflns_Friedel_fraction_max      1.000
_reflns_Friedel_fraction_full     1.000
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1155P)²+43.7061P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef        0.030(4)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
;
 Twinning involves inversion, so Flack parameter cannot be determined
;
_refine_ls_abs_structure_Flack    ?
_chemical_absolute_configuration  ?
_refine_ls_number_reflns          5549
_refine_ls_number_parameters      188
_refine_ls_number_restraints      81
_refine_ls_R_factor_all           0.1282
_refine_ls_R_factor_gt            0.1095
_refine_ls_wR_factor_ref          0.2867
_refine_ls_wR_factor_gt           0.2699
_refine_ls_goodness_of_fit_ref    1.050
_refine_ls_restrained_S_all       1.056
_refine_ls_shift/su_max           0.015
_refine_ls_shift/su_mean          0.002
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
V1 V 0.0023(3) 0.7464(5) 0.0285(4) 0.0125(6) Uani 1 1 d . . . . .
V2 V 0.5002(5) 0.1236(9) 0.4607(6) 0.0125(6) Uani 0.625 1 d . . P . .
V2A V 0.4975(9) 0.2346(13) 0.5177(9) 0.0125(6) Uani 0.375 1 d . . P . .
Si1 Si 0.2096(5) 0.6161(9) 0.1163(7) 0.0152(5) Uani 1 1 d D . . . .
Si2 Si 0.1976(5) 0.7784(9) -0.1164(7) 0.0152(5) Uani 1 1 d D . . . .
Si3 Si 0.1943(5) 0.1183(9) 0.8558(7) 0.0152(5) Uani 1 1 d D . . . .
Si4 Si 0.2058(5) 0.2788(9) 1.0972(7) 0.0152(5) Uani 1 1 d D . . . .
Si5 Si 0.2955(5) 0.1003(9) 0.5991(7) 0.0152(5) Uani 1 1 d D . . . .
Si6 Si 0.3051(5) 0.2592(9) 0.3508(7) 0.0152(5) Uani 1 1 d D . . . .
Si7 Si 0.2982(5) 0.7562(9) 0.6223(7) 0.0152(5) Uani 1 1 d D . . . .
Si8 Si 0.3068(5) 0.6001(9) 0.3647(6) 0.0152(5) Uani 1 1 d D . . . .
Na11 Na 0.0075(10) 0.4460(13) 0.2158(15) 0.0298(14) Uani 1 1 d . . . . .
Na12 Na 0.4879(10) 0.9272(14) 0.7138(15) 0.0298(14) Uani 1 1 d . . . . .
Na21 Na -0.0125(11) 0.5811(18) -0.2577(14) 0.039(2) Uani 1 1 d . . . . .
Na22 Na 0.498(2) 0.292(4) 0.773(2) 0.039(2) Uani 0.622 1 d . . P . .
Na2A Na 0.512(3) 0.286(5) 0.720(4) 0.039(2) Uani 0.378 1 d . . P . .
O11 O 0.0985(11) 0.239(2) 1.1105(19) 0.0169(11) Uani 1 1 d D . . . .
O12 O 0.0851(11) 0.139(2) 0.8610(18) 0.0169(11) Uani 1 1 d D . . . .
O13 O 0.4059(11) 0.116(2) 0.6069(18) 0.0169(11) Uani 1 1 d D . . . .
O14 O 0.4136(11) 0.228(2) 0.3464(17) 0.0169(11) Uani 1 1 d D . . . .
O15 O 0.4172(11) 0.625(2) 0.3767(18) 0.0169(11) Uani 1 1 d D . . . .
O16 O 0.4120(11) 0.744(2) 0.6196(16) 0.0169(11) Uani 1 1 d D . . . .
O17 O 0.0856(11) 0.751(3) -0.1170(19) 0.0169(11) Uani 1 1 d D . . . .
O18 O 0.1026(11) 0.650(2) 0.1374(17) 0.0169(11) Uani 1 1 d D . . . .
O21 O 0.2651(13) -0.0704(17) 0.6047(17) 0.0184(16) Uani 1 1 d D . . . .
O22 O 0.2232(14) -0.0489(17) 0.8693(17) 0.0184(16) Uani 1 1 d D . . . .
O23 O 0.2291(13) 0.4495(17) 1.0833(18) 0.0184(16) Uani 1 1 d D . . . .
O24 O 0.2741(14) 0.4294(17) 0.3789(17) 0.0184(16) Uani 1 1 d D . . . .
O31 O 0.2408(15) 0.176(2) 0.7220(17) 0.0241(19) Uani 1 1 d D . . . .
O32 O 0.2599(15) 0.206(2) 0.2153(17) 0.0241(19) Uani 1 1 d D . . . .
O33 O 0.2466(14) 0.697(2) -0.2413(16) 0.0241(19) Uani 1 1 d D . . . .
O34 O 0.2650(14) 0.671(2) 0.2381(16) 0.0241(19) Uani 1 1 d D . . . .
O41 O 0.2530(12) 0.6799(18) 0.4838(15) 0.0166(16) Uani 1 1 d D . . . .
O42 O 0.2486(11) 0.723(2) 0.0134(15) 0.0166(16) Uani 1 1 d D . . . .
O43 O 0.2481(12) 0.204(2) 0.9689(17) 0.0166(16) Uani 1 1 d D . . . .
O44 O 0.2513(12) 0.168(2) 0.4665(16) 0.0166(16) Uani 1 1 d D . . . .
OV1 O 0.001(2) 0.9088(19) 0.0846(19) 0.026(5) Uani 1 1 d . . . . .
OV2 O 0.494(2) 0.437(3) 0.579(2) 0.050(8) Uani 1 1 d . . . . .
OW1 O 0.033(2) 0.289(4) 0.404(3) 0.066(6) Uiso 1 1 d . . . . .
OW2 O 0.499(3) 1.046(3) 0.916(3) 0.066(6) Uiso 1 1 d . . . . .
OW3 O -0.107(2) 0.390(4) -0.364(3) 0.060(3) Uiso 1 1 d . . . . .
OW4 O 0.390(2) 0.426(4) 0.865(3) 0.060(3) Uiso 1 1 d . . . . .
OW5 O 0.114(2) 0.443(4) -0.374(3) 0.060(3) Uiso 1 1 d . . . . .
OW6 O 0.620(2) 0.439(4) 0.855(3) 0.060(3) Uiso 1 1 d . . . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
V1 OV1 1.592(19) . ?
V1 O17 1.924(18) . ?
V1 O12 1.961(18) 2_556 ?
V1 O18 2.030(18) . ?
V1 O11 2.042(19) 2_556 ?
V1 Na11 3.123(15) 2 ?
V1 Na21 3.336(15) . ?
V1 Na11 3.360(15) . ?
V2 V2A 1.174(14) . ?
V2 OV2 1.75(3) 2_646 ?
V2 O16 1.86(2) 2_646 ?
V2 O14 1.961(19) . ?
V2 O13 2.033(18) . ?
V2 O15 2.060(19) 2_646 ?
V2 Na2A 3.08(4) . ?
V2 Na12 3.184(16) 1_545 ?
V2 Na12 3.313(16) 2_646 ?
V2 Na22 3.59(3) . ?
V2 Na2A 3.61(5) 2_646 ?
V2A O15 1.92(2) 2_646 ?
V2A O16 1.93(2) 2_646 ?
V2A O13 1.94(2) . ?
V2A OV2 1.95(3) . ?
V2A O14 2.15(2) . ?
V2A Na2A 2.16(4) . ?
V2A Na22 2.70(3) . ?
V2A Na12 2.982(18) 2_646 ?
V2A Na12 3.467(18) 1_545 ?
Si1 O42 1.548(16) . ?
Si1 O34 1.572(17) . ?
Si1 O18 1.580(16) . ?
Si1 O23 1.583(17) 1_554 ?
Si1 Si2 2.837(10) . ?
Si1 Na11 3.444(16) . ?
Si2 O42 1.615(15) . ?
Si2 O22 1.624(17) 1_564 ?
Si2 O17 1.625(16) . ?
Si2 O33 1.652(16) . ?
Si2 Na11 3.470(16) 2 ?
Si3 O12 1.578(16) . ?
Si3 O22 1.587(17) . ?
Si3 O43 1.607(17) . ?
Si3 O31 1.627(16) . ?
Si3 Na11 3.375(16) 2_546 ?
Si4 O11 1.587(16) . ?
Si4 O32 1.593(17) 1_556 ?
Si4 O23 1.599(16) . ?
Si4 O43 1.613(16) . ?
Si4 Na11 3.453(16) 1_556 ?
Si5 O13 1.590(16) . ?
Si5 O21 1.618(17) . ?
Si5 O44 1.636(17) . ?
Si5 O31 1.649(16) . ?
Si5 Na12 3.393(16) 1_545 ?
Si6 O14 1.582(16) . ?
Si6 O32 1.621(17) . ?
Si6 O24 1.641(17) . ?
Si6 O44 1.650(17) . ?
Si6 Na12 3.406(16) 2_646 ?
Si7 O16 1.635(16) . ?
Si7 O21 1.661(17) 1_565 ?
Si7 O33 1.686(16) 1_556 ?
Si7 O41 1.723(16) . ?
Si7 Na12 3.274(17) . ?
Si8 O34 1.580(17) . ?
Si8 O15 1.604(17) . ?
Si8 O41 1.629(16) . ?
Si8 O24 1.632(17) . ?
Si8 Na2A 3.22(4) 2_656 ?
Si8 Na12 3.437(16) 2_646 ?
Na11 O12 2.34(2) 2_556 ?
Na11 OW1 2.45(4) . ?
Na11 O18 2.45(2) . ?
Na11 O17 2.45(2) 2_545 ?
Na11 O11 2.54(2) 1_554 ?
Na11 Na21 3.36(2) 2_545 ?
Na12 O16 2.22(2) . ?
Na12 O13 2.36(2) 1_565 ?
Na12 OW2 2.36(4) . ?
Na12 O14 2.39(2) 2_656 ?
Na12 O15 2.45(2) 2_656 ?
Na12 Na2A 3.29(5) 1_565 ?
Na12 Na22 3.38(4) 1_565 ?
Na21 OV1 2.39(2) 2_545 ?
Na21 O11 2.43(2) 2_556 ?
Na21 OW1 2.45(4) 2 ?
Na21 OW3 2.47(4) . ?
Na21 OW5 2.52(4) . ?
Na21 O17 2.55(3) . ?
Na22 Na2A 0.59(4) . ?
Na22 OW4 2.19(4) . ?
Na22 OW6 2.37(5) . ?
Na22 OV2 2.42(4) . ?
Na22 O15 2.49(3) 2_646 ?
Na22 OW2 2.68(4) 1_545 ?
Na22 O13 2.70(4) . ?
Na2A OV2 2.03(5) . ?
Na2A O15 2.05(5) 2_646 ?
Na2A O13 2.47(5) . ?
Na2A OW6 2.51(6) . ?
Na2A OW4 2.64(5) . ?
Na2A OW2 2.99(6) 1_545 ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
OV1 V1 O17 106.0(11) . . ?
OV1 V1 O12 104.1(11) . 2_556 ?
O17 V1 O12 149.9(10) . 2_556 ?
OV1 V1 O18 102.0(11) . . ?
O17 V1 O18 90.3(8) . . ?
O12 V1 O18 84.8(7) 2_556 . ?
OV1 V1 O11 106.3(12) . 2_556 ?
O17 V1 O11 83.4(7) . 2_556 ?
O12 V1 O11 86.8(8) 2_556 2_556 ?
O18 V1 O11 151.7(8) . 2_556 ?
OV1 V1 Na11 75.8(8) . 2 ?
O17 V1 Na11 51.7(7) . 2 ?
O12 V1 Na11 137.5(6) 2_556 2 ?
O18 V1 Na11 137.4(6) . 2 ?
O11 V1 Na11 54.2(6) 2_556 2 ?
OV1 V1 Na21 138.2(8) . . ?
O17 V1 Na21 49.5(6) . . ?
O12 V1 Na21 104.7(7) 2_556 . ?
O18 V1 Na21 110.2(6) . . ?
O11 V1 Na21 46.5(6) 2_556 . ?
Na11 V1 Na21 62.5(4) 2 . ?
OV1 V1 Na11 123.2(7) . . ?
O17 V1 Na11 117.1(7) . . ?
O12 V1 Na11 43.0(6) 2_556 . ?
O18 V1 Na11 46.3(6) . . ?
O11 V1 Na11 113.4(6) 2_556 . ?
Na11 V1 Na11 161.0(3) 2 . ?
Na21 V1 Na11 98.5(4) . . ?
V2A V2 OV2 163.2(11) . 2_646 ?
V2A V2 O16 75.0(9) . 2_646 ?
OV2 V2 O16 115.6(11) 2_646 2_646 ?
V2A V2 O14 82.3(9) . . ?
OV2 V2 O14 111.1(12) 2_646 . ?
O16 V2 O14 82.7(8) 2_646 . ?
V2A V2 O13 68.4(9) . . ?
OV2 V2 O13 99.9(11) 2_646 . ?
O16 V2 O13 143.4(9) 2_646 . ?
O14 V2 O13 92.7(8) . . ?
V2A V2 O15 66.5(9) . 2_646 ?
OV2 V2 O15 99.7(11) 2_646 2_646 ?
O16 V2 O15 88.5(8) 2_646 2_646 ?
O14 V2 O15 148.8(10) . 2_646 ?
O13 V2 O15 76.8(7) . 2_646 ?
V2A V2 Na2A 31.3(11) . . ?
OV2 V2 Na2A 132.0(12) 2_646 . ?
O16 V2 Na2A 94.0(11) 2_646 . ?
O14 V2 Na2A 109.3(11) . . ?
O13 V2 Na2A 53.2(10) . . ?
O15 V2 Na2A 41.3(10) 2_646 . ?
V2A V2 Na12 93.9(6) . 1_545 ?
OV2 V2 Na12 69.4(9) 2_646 1_545 ?
O16 V2 Na12 137.4(7) 2_646 1_545 ?
O14 V2 Na12 137.4(6) . 1_545 ?
O13 V2 Na12 47.8(6) . 1_545 ?
O15 V2 Na12 50.2(7) 2_646 1_545 ?
Na2A V2 Na12 63.4(9) . 1_545 ?
V2A V2 Na12 63.6(6) . 2_646 ?
OV2 V2 Na12 133.0(9) 2_646 2_646 ?
O16 V2 Na12 39.7(6) 2_646 2_646 ?
O14 V2 Na12 45.4(7) . 2_646 ?
O13 V2 Na12 118.1(7) . 2_646 ?
O15 V2 Na12 114.4(7) 2_646 2_646 ?
Na2A V2 Na12 94.2(10) . 2_646 ?
Na12 V2 Na12 157.5(4) 1_545 2_646 ?
V2A V2 Na22 34.5(7) . . ?
OV2 V2 Na22 128.8(11) 2_646 . ?
O16 V2 Na22 99.2(8) 2_646 . ?
O14 V2 Na22 109.4(8) . . ?
O13 V2 Na22 48.2(7) . . ?
O15 V2 Na22 42.6(7) 2_646 . ?
Na2A V2 Na22 5.2(11) . . ?
Na12 V2 Na22 59.6(6) 1_545 . ?
Na12 V2 Na22 97.9(6) 2_646 . ?
V2A V2 Na2A 175.1(10) . 2_646 ?
OV2 V2 Na2A 18.7(11) 2_646 2_646 ?
O16 V2 Na2A 107.6(9) 2_646 2_646 ?
O14 V2 Na2A 93.9(9) . 2_646 ?
O13 V2 Na2A 108.9(9) . 2_646 ?
O15 V2 Na2A 117.3(9) 2_646 2_646 ?
Na2A V2 Na2A 150.2(12) . 2_646 ?
Na12 V2 Na2A 86.9(7) 1_545 2_646 ?
Na12 V2 Na2A 115.6(7) 2_646 2_646 ?
Na22 V2 Na2A 146.5(7) . 2_646 ?
V2 V2A O15 79.4(9) . 2_646 ?
V2 V2A O16 69.0(8) . 2_646 ?
O15 V2A O16 90.8(9) 2_646 2_646 ?
V2 V2A O13 77.3(10) . . ?
O15 V2A O13 82.4(9) 2_646 . ?
O16 V2A O13 146.3(11) 2_646 . ?
V2 V2A OV2 168.6(11) . . ?
O15 V2A OV2 109.0(11) 2_646 . ?
O16 V2A OV2 102.6(11) 2_646 . ?
O13 V2A OV2 110.9(11) . . ?
V2 V2A O14 64.9(8) . . ?
O15 V2A O14 144.3(10) 2_646 . ?
O16 V2A O14 76.5(7) 2_646 . ?
O13 V2A O14 90.0(9) . . ?
OV2 V2A O14 106.3(11) . . ?
V2 V2A Na2A 132.3(16) . . ?
O15 V2A Na2A 59.8(14) 2_646 . ?
O16 V2A Na2A 129.9(14) 2_646 . ?
O13 V2A Na2A 73.9(14) . . ?
OV2 V2A Na2A 58.9(15) . . ?
O14 V2A Na2A 149.9(14) . . ?
V2 V2A Na22 131.3(10) . . ?
O15 V2A Na22 62.7(9) 2_646 . ?
O16 V2A Na22 135.7(10) 2_646 . ?
O13 V2A Na22 68.8(9) . . ?
OV2 V2A Na22 60.0(11) . . ?
O14 V2A Na22 144.9(9) . . ?
Na2A V2A Na22 5.8(15) . . ?
V2 V2A Na12 95.8(6) . 2_646 ?
O15 V2A Na12 136.1(8) 2_646 2_646 ?
O16 V2A Na12 48.2(7) 2_646 2_646 ?
O13 V2A Na12 139.6(8) . 2_646 ?
OV2 V2A Na12 72.9(9) . 2_646 ?
O14 V2A Na12 52.4(6) . 2_646 ?
Na2A V2A Na12 130.4(15) . 2_646 ?
Na22 V2A Na12 132.6(8) . 2_646 ?
V2 V2A Na12 66.3(6) . 1_545 ?
O15 V2A Na12 43.1(7) 2_646 1_545 ?
O16 V2A Na12 119.6(8) 2_646 1_545 ?
O13 V2A Na12 40.6(6) . 1_545 ?
OV2 V2A Na12 125.0(9) . 1_545 ?
O14 V2A Na12 116.1(7) . 1_545 ?
Na2A V2A Na12 67.0(14) . 1_545 ?
Na22 V2A Na12 65.1(8) . 1_545 ?
Na12 V2A Na12 162.1(5) 2_646 1_545 ?
O42 Si1 O34 99.9(10) . . ?
O42 Si1 O18 108.8(10) . . ?
O34 Si1 O18 108.5(11) . . ?
O42 Si1 O23 113.0(11) . 1_554 ?
O34 Si1 O23 112.9(11) . 1_554 ?
O18 Si1 O23 112.9(11) . 1_554 ?
O42 Si1 Si2 26.8(6) . . ?
O34 Si1 Si2 123.3(8) . . ?
O18 Si1 Si2 87.5(8) . . ?
O23 Si1 Si2 109.1(8) 1_554 . ?
O42 Si1 Na11 142.5(7) . . ?
O34 Si1 Na11 109.0(9) . . ?
O18 Si1 Na11 39.7(8) . . ?
O23 Si1 Na11 77.3(8) 1_554 . ?
Si2 Si1 Na11 116.0(4) . . ?
O42 Si2 O22 106.2(10) . 1_564 ?
O42 Si2 O17 113.6(10) . . ?
O22 Si2 O17 112.0(12) 1_564 . ?
O42 Si2 O33 108.6(10) . . ?
O22 Si2 O33 105.7(9) 1_564 . ?
O17 Si2 O33 110.3(11) . . ?
O42 Si2 Si1 25.6(6) . . ?
O22 Si2 Si1 124.7(8) 1_564 . ?
O17 Si2 Si1 88.9(8) . . ?
O33 Si2 Si1 114.0(8) . . ?
O42 Si2 Na11 140.4(7) . 2 ?
O22 Si2 Na11 74.8(8) 1_564 2 ?
O17 Si2 Na11 39.7(9) . 2 ?
O33 Si2 Na11 109.0(8) . 2 ?
Si1 Si2 Na11 122.3(4) . 2 ?
O12 Si3 O22 111.8(12) . . ?
O12 Si3 O43 113.1(10) . . ?
O22 Si3 O43 106.1(11) . . ?
O12 Si3 O31 113.4(11) . . ?
O22 Si3 O31 106.2(10) . . ?
O43 Si3 O31 105.6(10) . . ?
O12 Si3 Na11 38.1(8) . 2_546 ?
O22 Si3 Na11 78.2(8) . 2_546 ?
O43 Si3 Na11 143.0(8) . 2_546 ?
O31 Si3 Na11 108.3(9) . 2_546 ?
O11 Si4 O32 108.0(12) . 1_556 ?
O11 Si4 O23 115.7(11) . . ?
O32 Si4 O23 111.8(11) 1_556 . ?
O11 Si4 O43 109.8(10) . . ?
O32 Si4 O43 106.0(11) 1_556 . ?
O23 Si4 O43 105.0(10) . . ?
O11 Si4 Na11 43.3(8) . 1_556 ?
O32 Si4 Na11 108.0(9) 1_556 1_556 ?
O23 Si4 Na11 76.9(8) . 1_556 ?
O43 Si4 Na11 142.2(8) . 1_556 ?
O13 Si5 O21 110.5(11) . . ?
O13 Si5 O44 113.2(10) . . ?
O21 Si5 O44 106.9(10) . . ?
O13 Si5 O31 113.4(12) . . ?
O21 Si5 O31 104.3(10) . . ?
O44 Si5 O31 107.9(10) . . ?
O13 Si5 Na12 38.3(8) . 1_545 ?
O21 Si5 Na12 76.0(8) . 1_545 ?
O44 Si5 Na12 141.8(8) . 1_545 ?
O31 Si5 Na12 108.1(9) . 1_545 ?
O14 Si6 O32 108.3(11) . . ?
O14 Si6 O24 116.4(11) . . ?
O32 Si6 O24 109.1(10) . . ?
O14 Si6 O44 112.9(10) . . ?
O32 Si6 O44 107.1(11) . . ?
O24 Si6 O44 102.7(10) . . ?
O14 Si6 Na12 38.7(8) . 2_646 ?
O32 Si6 Na12 108.2(9) . 2_646 ?
O24 Si6 Na12 81.1(8) . 2_646 ?
O44 Si6 Na12 140.9(8) . 2_646 ?
O16 Si7 O21 110.5(11) . 1_565 ?
O16 Si7 O33 115.4(10) . 1_556 ?
O21 Si7 O33 105.9(9) 1_565 1_556 ?
O16 Si7 O41 109.4(9) . . ?
O21 Si7 O41 100.7(9) 1_565 . ?
O33 Si7 O41 113.8(9) 1_556 . ?
O16 Si7 Na12 37.9(8) . . ?
O21 Si7 Na12 79.4(8) 1_565 . ?
O33 Si7 Na12 105.9(8) 1_556 . ?
O41 Si7 Na12 138.3(7) . . ?
O34 Si8 O15 112.4(11) . . ?
O34 Si8 O41 105.6(10) . . ?
O15 Si8 O41 110.2(10) . . ?
O34 Si8 O24 110.8(10) . . ?
O15 Si8 O24 114.3(11) . . ?
O41 Si8 O24 102.8(10) . . ?
O34 Si8 Na2A 82.2(11) . 2_656 ?
O15 Si8 Na2A 32.0(11) . 2_656 ?
O41 Si8 Na2A 110.7(11) . 2_656 ?
O24 Si8 Na2A 139.3(12) . 2_656 ?
O34 Si8 Na12 108.3(9) . 2_646 ?
O15 Si8 Na12 40.4(9) . 2_646 ?
O41 Si8 Na12 142.2(7) . 2_646 ?
O24 Si8 Na12 80.2(8) . 2_646 ?
Na2A Si8 Na12 59.1(9) 2_656 2_646 ?
O12 Na11 OW1 142.5(11) 2_556 . ?
O12 Na11 O18 68.4(7) 2_556 . ?
OW1 Na11 O18 128.9(11) . . ?
O12 Na11 O17 95.5(8) 2_556 2_545 ?
OW1 Na11 O17 89.4(10) . 2_545 ?
O18 Na11 O17 135.9(9) . 2_545 ?
O12 Na11 O11 134.6(10) 2_556 1_554 ?
OW1 Na11 O11 80.4(10) . 1_554 ?
O18 Na11 O11 97.8(8) . 1_554 ?
O17 Na11 O11 63.8(6) 2_545 1_554 ?
O12 Na11 V1 97.9(7) 2_556 2_545 ?
OW1 Na11 V1 108.3(9) . 2_545 ?
O18 Na11 V1 101.5(6) . 2_545 ?
O17 Na11 V1 38.0(5) 2_545 2_545 ?
O11 Na11 V1 40.6(5) 1_554 2_545 ?
O12 Na11 Na21 143.2(8) 2_556 2_545 ?
OW1 Na11 Na21 46.7(8) . 2_545 ?
O18 Na11 Na21 141.8(7) . 2_545 ?
O17 Na11 Na21 49.1(6) 2_545 2_545 ?
O11 Na11 Na21 46.2(6) 1_554 2_545 ?
V1 Na11 Na21 61.8(3) 2_545 2_545 ?
O12 Na11 V1 34.8(4) 2_556 . ?
OW1 Na11 V1 160.3(10) . . ?
O18 Na11 V1 36.8(5) . . ?
O17 Na11 V1 109.8(7) 2_545 . ?
O11 Na11 V1 111.6(7) 1_554 . ?
V1 Na11 V1 90.3(4) 2_545 . ?
Na21 Na11 V1 152.1(5) 2_545 . ?
O12 Na11 Si3 24.5(5) 2_556 2_556 ?
OW1 Na11 Si3 125.1(9) . 2_556 ?
O18 Na11 Si3 92.9(6) . 2_556 ?
O17 Na11 Si3 77.3(6) 2_545 2_556 ?
O11 Na11 Si3 133.7(7) 1_554 2_556 ?
V1 Na11 Si3 93.1(4) 2_545 2_556 ?
Na21 Na11 Si3 120.6(5) 2_545 2_556 ?
V1 Na11 Si3 58.3(3) . 2_556 ?
O12 Na11 Si1 92.1(6) 2_556 . ?
OW1 Na11 Si1 112.2(9) . . ?
O18 Na11 Si1 24.3(4) . . ?
O17 Na11 Si1 131.3(7) 2_545 . ?
O11 Na11 Si1 77.0(6) 1_554 . ?
V1 Na11 Si1 93.3(4) 2_545 . ?
Na21 Na11 Si1 117.9(5) 2_545 . ?
V1 Na11 Si1 58.5(3) . . ?
Si3 Na11 Si1 116.4(4) 2_556 . ?
O12 Na11 Si4 132.6(7) 2_556 1_554 ?
OW1 Na11 Si4 84.5(9) . 1_554 ?
O18 Na11 Si4 76.0(6) . 1_554 ?
O17 Na11 Si4 88.7(6) 2_545 1_554 ?
O11 Na11 Si4 25.3(4) 1_554 1_554 ?
V1 Na11 Si4 59.4(3) 2_545 1_554 ?
Na21 Na11 Si4 65.8(4) 2_545 1_554 ?
V1 Na11 Si4 99.9(4) . 1_554 ?
Si3 Na11 Si4 146.4(5) 2_556 1_554 ?
Si1 Na11 Si4 53.1(3) . 1_554 ?
O12 Na11 Si2 75.6(6) 2_556 2_545 ?
OW1 Na11 Si2 96.0(9) . 2_545 ?
O18 Na11 Si2 135.1(7) . 2_545 ?
O17 Na11 Si2 25.1(5) 2_545 2_545 ?
O11 Na11 Si2 88.8(5) 1_554 2_545 ?
V1 Na11 Si2 57.6(3) 2_545 2_545 ?
Na21 Na11 Si2 67.6(4) 2_545 2_545 ?
V1 Na11 Si2 99.7(4) . 2_545 ?
Si3 Na11 Si2 54.1(3) 2_556 2_545 ?
Si1 Na11 Si2 145.3(5) . 2_545 ?
Si4 Na11 Si2 113.4(4) 1_554 2_545 ?
O16 Na12 O13 95.7(9) . 1_565 ?
O16 Na12 OW2 140.3(11) . . ?
O13 Na12 OW2 96.7(11) 1_565 . ?
O16 Na12 O14 66.4(7) . 2_656 ?
O13 Na12 O14 136.7(10) 1_565 2_656 ?
OW2 Na12 O14 122.7(11) . 2_656 ?
O16 Na12 O15 131.2(9) . 2_656 ?
O13 Na12 O15 63.8(6) 1_565 2_656 ?
OW2 Na12 O15 87.9(10) . 2_656 ?
O14 Na12 O15 97.6(8) 2_656 2_656 ?
O16 Na12 V2A 40.3(5) . 2_656 ?
O13 Na12 V2A 94.9(8) 1_565 2_656 ?
OW2 Na12 V2A 168.1(11) . 2_656 ?
O14 Na12 V2A 45.5(5) 2_656 2_656 ?
O15 Na12 V2A 94.9(7) 2_656 2_656 ?
O16 Na12 V2 95.1(7) . 1_565 ?
O13 Na12 V2 39.6(5) 1_565 1_565 ?
OW2 Na12 V2 118.0(9) . 1_565 ?
O14 Na12 V2 100.4(7) 2_656 1_565 ?
O15 Na12 V2 40.3(5) 2_656 1_565 ?
V2A Na12 V2 70.3(4) 2_656 1_565 ?
O16 Na12 Si7 26.8(5) . . ?
O13 Na12 Si7 78.3(6) 1_565 . ?
OW2 Na12 Si7 122.2(10) . . ?
O14 Na12 Si7 93.0(6) 2_656 . ?
O15 Na12 Si7 134.5(7) 2_656 . ?
V2A Na12 Si7 62.9(4) 2_656 . ?
V2 Na12 Si7 94.3(5) 1_565 . ?
O16 Na12 Na2A 144.1(11) . 1_565 ?
O13 Na12 Na2A 48.5(9) 1_565 1_565 ?
OW2 Na12 Na2A 61.3(11) . 1_565 ?
O14 Na12 Na2A 134.4(10) 2_656 1_565 ?
O15 Na12 Na2A 38.3(8) 2_656 1_565 ?
V2A Na12 Na2A 126.4(9) 2_656 1_565 ?
V2 Na12 Na2A 56.7(7) 1_565 1_565 ?
Si7 Na12 Na2A 124.6(9) . 1_565 ?
O16 Na12 V2 32.4(5) . 2_656 ?
O13 Na12 V2 112.2(8) 1_565 2_656 ?
OW2 Na12 V2 149.7(10) . 2_656 ?
O14 Na12 V2 35.8(5) 2_656 2_656 ?
O15 Na12 V2 112.2(7) 2_656 2_656 ?
V2A Na12 V2 20.6(3) 2_656 2_656 ?
V2 Na12 V2 91.0(4) 1_565 2_656 ?
Si7 Na12 V2 59.1(3) . 2_656 ?
Na2A Na12 V2 146.7(9) 1_565 2_656 ?
O16 Na12 Na22 147.2(9) . 1_565 ?
O13 Na12 Na22 52.4(7) 1_565 1_565 ?
OW2 Na12 Na22 52.1(9) . 1_565 ?
O14 Na12 Na22 140.6(9) 2_656 1_565 ?
O15 Na12 Na22 47.4(7) 2_656 1_565 ?
V2A Na12 Na22 136.2(7) 2_656 1_565 ?
V2 Na12 Na22 66.1(5) 1_565 1_565 ?
Si7 Na12 Na22 123.7(7) . 1_565 ?
Na2A Na12 Na22 10.1(7) 1_565 1_565 ?
V2 Na12 Na22 156.7(7) 2_656 1_565 ?
O16 Na12 Si5 78.4(6) . 1_565 ?
O13 Na12 Si5 24.7(4) 1_565 1_565 ?
OW2 Na12 Si5 98.9(10) . 1_565 ?
O14 Na12 Si5 138.1(7) 2_656 1_565 ?
O15 Na12 Si5 88.5(6) 2_656 1_565 ?
V2A Na12 Si5 92.8(5) 2_656 1_565 ?
V2 Na12 Si5 59.6(3) 1_565 1_565 ?
Si7 Na12 Si5 56.3(3) . 1_565 ?
Na2A Na12 Si5 68.3(8) 1_565 1_565 ?
V2 Na12 Si5 103.9(5) 2_656 1_565 ?
Na22 Na12 Si5 68.9(6) 1_565 1_565 ?
OV1 Na21 O11 87.3(9) 2_545 2_556 ?
OV1 Na21 OW1 169.5(12) 2_545 2 ?
O11 Na21 OW1 82.6(11) 2_556 2 ?
OV1 Na21 OW3 84.7(11) 2_545 . ?
O11 Na21 OW3 114.8(11) 2_556 . ?
OW1 Na21 OW3 101.9(12) 2 . ?
OV1 Na21 OW5 89.0(12) 2_545 . ?
O11 Na21 OW5 164.1(12) 2_556 . ?
OW1 Na21 OW5 100.0(12) 2 . ?
OW3 Na21 OW5 80.2(12) . . ?
OV1 Na21 O17 86.0(9) 2_545 . ?
O11 Na21 O17 64.0(6) 2_556 . ?
OW1 Na21 O17 87.2(11) 2 . ?
OW3 Na21 O17 170.7(11) . . ?
OW5 Na21 O17 100.4(11) . . ?
OV1 Na21 V1 67.9(6) 2_545 . ?
O11 Na21 V1 37.5(5) 2_556 . ?
OW1 Na21 V1 102.1(10) 2 . ?
OW3 Na21 V1 138.7(10) . . ?
OW5 Na21 V1 127.4(10) . . ?
O17 Na21 V1 35.0(4) . . ?
OV1 Na21 Na11 123.5(7) 2_545 2 ?
O11 Na21 Na11 48.9(6) 2_556 2 ?
OW1 Na21 Na11 46.7(9) 2 2 ?
OW3 Na21 Na11 140.3(10) . 2 ?
OW5 Na21 Na11 122.8(11) . 2 ?
O17 Na21 Na11 46.6(6) . 2 ?
V1 Na21 Na11 55.6(4) . 2 ?
Na2A Na22 OW4 135(7) . . ?
Na2A Na22 OW6 97(6) . . ?
OW4 Na22 OW6 93.0(16) . . ?
Na2A Na22 OV2 44(6) . . ?
OW4 Na22 OV2 92.3(15) . . ?
OW6 Na22 OV2 90.2(15) . . ?
Na2A Na22 O15 36(6) . 2_646 ?
OW4 Na22 O15 163.3(16) . 2_646 ?
OW6 Na22 O15 101.8(14) . 2_646 ?
OV2 Na22 O15 79.9(11) . 2_646 ?
Na2A Na22 OW2 116(7) . 1_545 ?
OW4 Na22 OW2 103.6(15) . 1_545 ?
OW6 Na22 OW2 105.6(15) . 1_545 ?
OV2 Na22 OW2 156.7(16) . 1_545 ?
O15 Na22 OW2 80.2(13) 2_646 1_545 ?
Na2A Na22 O13 62(6) . . ?
OW4 Na22 O13 105.5(14) . . ?
OW6 Na22 O13 158.0(14) . . ?
OV2 Na22 O13 77.4(11) . . ?
O15 Na22 O13 58.5(8) 2_646 . ?
OW2 Na22 O13 81.9(13) 1_545 . ?
Na2A Na22 V2A 22(6) . . ?
OW4 Na22 V2A 122.3(15) . . ?
OW6 Na22 V2A 117.4(13) . . ?
OV2 Na22 V2A 44.5(8) . . ?
O15 Na22 V2A 43.2(7) 2_646 . ?
OW2 Na22 V2A 112.3(13) 1_545 . ?
O13 Na22 V2A 42.1(6) . . ?
Na2A Na22 Na12 76(7) . 1_545 ?
OW4 Na22 Na12 126.8(15) . 1_545 ?
OW6 Na22 Na12 130.7(14) . 1_545 ?
OV2 Na22 Na12 112.8(12) . 1_545 ?
O15 Na22 Na12 46.2(8) 2_646 1_545 ?
OW2 Na22 Na12 44.0(9) 1_545 1_545 ?
O13 Na22 Na12 43.9(7) . 1_545 ?
V2A Na22 Na12 68.4(8) . 1_545 ?
Na2A Na22 V2 28(6) . . ?
OW4 Na22 V2 129.8(14) . . ?
OW6 Na22 V2 123.9(12) . . ?
OV2 Na22 V2 58.7(9) . . ?
O15 Na22 V2 34.0(5) 2_646 . ?
OW2 Na22 V2 98.1(11) 1_545 . ?
O13 Na22 V2 34.2(5) . . ?
V2A Na22 V2 14.2(4) . . ?
Na12 Na22 V2 54.3(5) 1_545 . ?
Na22 Na2A OV2 125(8) . . ?
Na22 Na2A O15 134(8) . 2_646 ?
OV2 Na2A O15 101.4(19) . 2_646 ?
Na22 Na2A V2A 153(7) . . ?
OV2 Na2A V2A 55.4(13) . . ?
O15 Na2A V2A 54.3(12) 2_646 . ?
Na22 Na2A O13 106(7) . . ?
OV2 Na2A O13 90.2(17) . . ?
O15 Na2A O13 67.7(14) 2_646 . ?
V2A Na2A O13 48.9(10) . . ?
Na22 Na2A OW6 70(6) . . ?
OV2 Na2A OW6 96(2) . . ?
O15 Na2A OW6 112(2) 2_646 . ?
V2A Na2A OW6 136(2) . . ?
O13 Na2A OW6 174(2) . . ?
Na22 Na2A OW4 36(6) . . ?
OV2 Na2A OW4 90(2) . . ?
O15 Na2A OW4 163(3) 2_646 . ?
V2A Na2A OW4 126(2) . . ?
O13 Na2A OW4 99.4(17) . . ?
OW6 Na2A OW4 79.9(15) . . ?
Na22 Na2A OW2 54(7) . 1_545 ?
OV2 Na2A OW2 168(2) . 1_545 ?
O15 Na2A OW2 80.7(18) 2_646 1_545 ?
V2A Na2A OW2 120(2) . 1_545 ?
O13 Na2A OW2 79.8(16) . 1_545 ?
OW6 Na2A OW2 93.8(16) . 1_545 ?
OW4 Na2A OW2 85.8(15) . 1_545 ?
Na22 Na2A V2 147(7) . . ?
OV2 Na2A V2 71.8(13) . . ?
O15 Na2A V2 41.7(9) 2_646 . ?
V2A Na2A V2 16.4(6) . . ?
O13 Na2A V2 41.2(7) . . ?
OW6 Na2A V2 142.1(18) . . ?
OW4 Na2A V2 133.9(17) . . ?
OW2 Na2A V2 103.7(16) 1_545 . ?
Na22 Na2A Si8 126(7) . 2_646 ?
OV2 Na2A Si8 105.4(17) . 2_646 ?
O15 Na2A Si8 24.6(8) 2_646 2_646 ?
V2A Na2A Si8 72.5(12) . 2_646 ?
O13 Na2A Si8 92.1(14) . 2_646 ?
OW6 Na2A Si8 87.0(15) . 2_646 ?
OW4 Na2A Si8 161.0(17) . 2_646 ?
OW2 Na2A Si8 81.3(13) 1_545 2_646 ?
V2 Na2A Si8 63.5(8) . 2_646 ?
Na22 Na2A Na12 94(7) . 1_545 ?
OV2 Na2A Na12 130.3(19) . 1_545 ?
O15 Na2A Na12 47.9(12) 2_646 1_545 ?
V2A Na2A Na12 75.8(14) . 1_545 ?
O13 Na2A Na12 45.6(10) . 1_545 ?
OW6 Na2A Na12 128.9(19) . 1_545 ?
OW4 Na2A Na12 114.9(17) . 1_545 ?
OW2 Na2A Na12 43.8(10) 1_545 1_545 ?
V2 Na2A Na12 59.9(9) . 1_545 ?
Si8 Na2A Na12 63.7(9) 2_646 1_545 ?
Na22 Na2A V2 113(7) . 2_656 ?
OV2 Na2A V2 16.0(11) . 2_656 ?
O15 Na2A V2 112.4(17) 2_646 2_656 ?
V2A Na2A V2 71.0(13) . 2_656 ?
O13 Na2A V2 105.0(14) . 2_656 ?
OW6 Na2A V2 81.2(15) . 2_656 ?
OW4 Na2A V2 81.4(14) . 2_656 ?
OW2 Na2A V2 166.9(16) 1_545 2_656 ?
V2 Na2A V2 87.3(10) . 2_656 ?
Si8 Na2A V2 110.3(12) 2_646 2_656 ?
Na12 Na2A V2 146.4(13) 1_545 2_656 ?
Si4 O11 V1 128.1(12) . 2_546 ?
Si4 O11 Na21 132.9(12) . 2_546 ?
V1 O11 Na21 96.0(7) 2_546 2_546 ?
Si4 O11 Na11 111.4(11) . 1_556 ?
V1 O11 Na11 85.2(7) 2_546 1_556 ?
Na21 O11 Na11 84.8(8) 2_546 1_556 ?
Si3 O12 V1 135.5(12) . 2_546 ?
Si3 O12 Na11 117.4(12) . 2_546 ?
V1 O12 Na11 102.3(8) 2_546 2_546 ?
Si5 O13 V2A 134.3(13) . . ?
Si5 O13 V2 128.8(12) . . ?
V2A O13 V2 34.3(5) . . ?
Si5 O13 Na12 117.1(11) . 1_545 ?
V2A O13 Na12 107.2(8) . 1_545 ?
V2 O13 Na12 92.6(8) . 1_545 ?
Si5 O13 Na2A 133.9(15) . . ?
V2A O13 Na2A 57.2(11) . . ?
V2 O13 Na2A 85.5(11) . . ?
Na12 O13 Na2A 85.8(13) 1_545 . ?
Si5 O13 Na22 124.7(12) . . ?
V2A O13 Na22 69.1(9) . . ?
V2 O13 Na22 97.6(9) . . ?
Na12 O13 Na22 83.7(9) 1_545 . ?
Na2A O13 Na22 12.2(10) . . ?
Si6 O14 V2 133.8(12) . . ?
Si6 O14 V2A 121.4(11) . . ?
V2 O14 V2A 32.8(5) . . ?
Si6 O14 Na12 116.8(11) . 2_646 ?
V2 O14 Na12 98.8(8) . 2_646 ?
V2A O14 Na12 82.1(8) . 2_646 ?
Si8 O15 V2A 138.2(13) . 2_656 ?
Si8 O15 Na2A 123.4(16) . 2_656 ?
V2A O15 Na2A 65.9(14) 2_656 2_656 ?
Si8 O15 V2 129.0(11) . 2_656 ?
V2A O15 V2 34.1(5) 2_656 2_656 ?
Na2A O15 V2 97.0(14) 2_656 2_656 ?
Si8 O15 Na12 114.5(12) . 2_646 ?
V2A O15 Na12 104.4(9) 2_656 2_646 ?
Na2A O15 Na12 93.8(15) 2_656 2_646 ?
V2 O15 Na12 89.5(8) 2_656 2_646 ?
Si8 O15 Na22 121.4(12) . 2_656 ?
V2A O15 Na22 74.1(9) 2_656 2_656 ?
Na2A O15 Na22 9.8(15) 2_656 2_656 ?
V2 O15 Na22 103.5(10) 2_656 2_656 ?
Na12 O15 Na22 86.4(10) 2_646 2_656 ?
Si7 O16 V2 136.3(12) . 2_656 ?
Si7 O16 V2A 133.4(11) . 2_656 ?
V2 O16 V2A 36.0(5) 2_656 2_656 ?
Si7 O16 Na12 115.3(12) . . ?
V2 O16 Na12 107.9(8) 2_656 . ?
V2A O16 Na12 91.5(8) 2_656 . ?
Si2 O17 V1 127.8(11) . . ?
Si2 O17 Na11 115.2(12) . 2 ?
V1 O17 Na11 90.3(8) . 2 ?
Si2 O17 Na21 129.9(11) . . ?
V1 O17 Na21 95.5(8) . . ?
Na11 O17 Na21 84.3(7) 2 . ?
Si1 O18 V1 134.1(11) . . ?
Si1 O18 Na11 116.0(11) . . ?
V1 O18 Na11 96.9(7) . . ?
Si5 O21 Si7 147.5(13) . 1_545 ?
Si3 O22 Si2 151.8(15) . 1_546 ?
Si1 O23 Si4 151.5(14) 1_556 . ?
Si8 O24 Si6 143.9(13) . . ?
Si3 O31 Si5 136.0(13) . . ?
Si4 O32 Si6 137.5(14) 1_554 . ?
Si2 O33 Si7 134.3(12) . 1_554 ?
Si1 O34 Si8 136.8(13) . . ?
Si8 O41 Si7 129.4(11) . . ?
Si1 O42 Si2 127.6(11) . . ?
Si3 O43 Si4 128.9(12) . . ?
Si5 O44 Si6 128.4(11) . . ?
V1 OV1 Na21 152.3(12) . 2 ?
V2 OV2 V2A 147.3(15) 2_656 . ?
V2 OV2 Na2A 145(2) 2_656 . ?
V2A OV2 Na2A 65.7(16) . . ?
V2 OV2 Na22 136.7(16) 2_656 . ?
V2A OV2 Na22 75.5(13) . . ?
Na2A OV2 Na22 11.6(14) . . ?
Na21 OW1 Na11 86.6(12) 2_545 . ?
Na12 OW2 Na22 83.9(12) . 1_565 ?
Na12 OW2 Na2A 74.9(12) . 1_565 ?
Na22 OW2 Na2A 10.3(10) 1_565 1_565 ?
Na22 OW4 Na2A 9.1(12) . . ?
Na22 OW6 Na2A 13.5(10) . . ?
 
_refine_diff_density_max    2.183
_refine_diff_density_min   -2.627
_refine_diff_density_rms    0.306



data_II 
#data_crystal_Y_RT
_database_code_depnum_ccdc_archive 'CCDC 1863348' 
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'H0 Na2 O14 Si4 V' 
_chemical_formula_weight          433.28

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Na'  'Na'   0.0362   0.0249
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0817   0.0704
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'V'  'V'   0.3005   0.5294
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            4
_space_group_name_H-M_alt         'P 21'
_space_group_name_Hall            'P 2yb'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z'
 
_cell_length_a                    14.364(4)
_cell_length_b                    9.134(3)
_cell_length_c                    10.373(3)
_cell_angle_alpha                 90
_cell_angle_beta                  90.056(7)
_cell_angle_gamma                 90
_cell_volume                      1360.9(7)
_cell_formula_units_Z             4
_cell_measurement_temperature     304(2)
_cell_measurement_reflns_used     5566
_cell_measurement_theta_min       1.6
_cell_measurement_theta_max       21.03
 
_exptl_crystal_description        prismatic
_exptl_crystal_colour             blue
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     2.115          
_exptl_crystal_F_000              852
_exptl_transmission_factor_min    0.5870
_exptl_transmission_factor_max    0.7452
_exptl_crystal_size_max           0.10
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.03
_exptl_absorpt_coefficient_mu     1.213
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    '(SADABS; Bruker, 2003)'
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       304(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker D8 Venture'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             5566
_diffrn_reflns_av_unetI/netI      0.0579
_diffrn_reflns_av_R_equivalents   0.0477
_diffrn_reflns_limit_h_min        -14
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_k_min        -7
_diffrn_reflns_limit_k_max        9
_diffrn_reflns_limit_l_min        -10
_diffrn_reflns_limit_l_max        10
_diffrn_reflns_theta_min          2.230
_diffrn_reflns_theta_max          21.033
_diffrn_reflns_theta_full         21.033
_diffrn_measured_fraction_theta_max   0.980
_diffrn_measured_fraction_theta_full  0.980
_diffrn_reflns_Laue_measured_fraction_max    0.980
_diffrn_reflns_Laue_measured_fraction_full   0.980
_diffrn_reflns_point_group_measured_fraction_max   0.680
_diffrn_reflns_point_group_measured_fraction_full  0.680
_reflns_number_total              1997
_reflns_number_gt                 1679
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.284
_reflns_Friedel_fraction_max      0.328
_reflns_Friedel_fraction_full     0.328
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.

 The structure represents a case of allotwinning 
 between two polytypes characterized by different orientation 
 of the V=O bond in the VO5 pyramids.
 In our refinement strategy, we selected space group P21 
 as compromise to refine both polytypes simultaneously 
 and in agreement with systematic extintions.
 
 The reasons for limited theta range are:
 1) VSH-13Na is a microporous compound having the general 
    charachteristics of poor scattering behavior
 2) it is characterized by a submicroscopic intergrowth of two polytypes 
    of different space group symmetry
 3) we could synthesize only small crystals (largest 0.1x0.05x0.03 mm)
 4) limited accessibility of the detector due to mount 
    of the heating device.

;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1458P)²+32.8662P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef        0.029(5)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
;
 Twinning involves inversion, so Flack parameter cannot be determined
;
_refine_ls_abs_structure_Flack    ?
_chemical_absolute_configuration  ?
_refine_ls_number_reflns          1997
_refine_ls_number_parameters      159
_refine_ls_number_restraints      81
_refine_ls_R_factor_all           0.1093
_refine_ls_R_factor_gt            0.0935
_refine_ls_wR_factor_ref          0.2629
_refine_ls_wR_factor_gt           0.2457
_refine_ls_goodness_of_fit_ref    1.046
_refine_ls_restrained_S_all       1.056
_refine_ls_shift/su_max           0.088
_refine_ls_shift/su_mean          0.019
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
V1 V 0.0017(6) 0.7444(7) 0.0283(6) 0.0206(12) Uiso 1 1 d . . . . .
V2 V 0.5004(8) 0.1211(12) 0.4615(9) 0.0206(12) Uiso 0.622 1 d . . P . .
V2A V 0.4953(14) 0.2346(19) 0.5195(13) 0.0206(12) Uiso 0.378 1 d . . P . .
Si1 Si 0.2082(8) 0.6186(13) 0.1202(11) 0.0237(10) Uiso 1 1 d D . . . .
Si2 Si 0.1974(8) 0.7789(14) -0.1248(11) 0.0237(10) Uiso 1 1 d D . . . .
Si3 Si 0.1950(8) 0.1191(13) 0.8536(11) 0.0237(10) Uiso 1 1 d D . . . .
Si4 Si 0.2048(8) 0.2810(13) 1.0963(12) 0.0237(10) Uiso 1 1 d D . . . .
Si5 Si 0.2931(8) 0.1011(13) 0.6009(12) 0.0237(10) Uiso 1 1 d D . . . .
Si6 Si 0.3049(8) 0.2589(13) 0.3520(11) 0.0237(10) Uiso 1 1 d D . . . .
Si7 Si 0.2988(8) 0.7581(13) 0.6155(11) 0.0237(10) Uiso 1 1 d D . . . .
Si8 Si 0.3080(8) 0.6002(13) 0.3711(11) 0.0237(10) Uiso 1 1 d D . . . .
Na11 Na 0.0122(14) 0.4463(15) 0.2055(15) 0.036(2) Uiso 1 1 d . . . . .
Na12 Na 0.4934(15) 0.9255(15) 0.7259(15) 0.036(2) Uiso 1 1 d . . . . .
Na21 Na -0.0054(15) 0.5880(19) -0.2583(19) 0.050(4) Uiso 1 1 d . . . . .
Na22 Na 0.479(2) 0.312(3) 0.774(3) 0.050(4) Uiso 0.622 1 d . . P . .
Na2A Na 0.511(4) 0.281(5) 0.731(5) 0.050(4) Uiso 0.378 1 d . . P . .
O11 O 0.0953(13) 0.251(3) 1.103(2) 0.0264(17) Uiso 1 1 d D . . . .
O12 O 0.0875(13) 0.146(3) 0.860(2) 0.0264(17) Uiso 1 1 d D . . . .
O13 O 0.4008(13) 0.129(3) 0.614(2) 0.0264(17) Uiso 1 1 d D . . . .
O14 O 0.4142(13) 0.237(3) 0.355(2) 0.0264(17) Uiso 1 1 d D . . . .
O15 O 0.4155(13) 0.612(3) 0.382(2) 0.0264(17) Uiso 1 1 d D . . . .
O16 O 0.4097(12) 0.738(3) 0.622(2) 0.0264(17) Uiso 1 1 d D . . . .
O17 O 0.0864(13) 0.745(3) -0.128(2) 0.0264(17) Uiso 1 1 d D . . . .
O18 O 0.1021(13) 0.644(3) 0.139(2) 0.0264(17) Uiso 1 1 d D . . . .
O21 O 0.2695(16) -0.0685(16) 0.600(2) 0.028(2) Uiso 1 1 d D . . . .
O22 O 0.2205(16) -0.0461(17) 0.871(2) 0.028(2) Uiso 1 1 d D . . . .
O23 O 0.2318(16) 0.4521(16) 1.093(2) 0.028(2) Uiso 1 1 d D . . . .
O24 O 0.2749(16) 0.4313(16) 0.375(2) 0.028(2) Uiso 1 1 d D . . . .
O31 O 0.2374(14) 0.172(3) 0.7208(17) 0.034(3) Uiso 1 1 d D . . . .
O32 O 0.2590(13) 0.205(3) 0.2177(17) 0.034(3) Uiso 1 1 d D . . . .
O33 O 0.2492(13) 0.698(2) -0.2500(16) 0.034(3) Uiso 1 1 d D . . . .
O34 O 0.2672(13) 0.672(2) 0.2456(17) 0.034(3) Uiso 1 1 d D . . . .
O41 O 0.2559(14) 0.673(2) 0.4915(16) 0.026(2) Uiso 1 1 d D . . . .
O42 O 0.2484(14) 0.716(2) 0.0076(16) 0.026(2) Uiso 1 1 d D . . . .
O43 O 0.2464(14) 0.206(2) 0.9647(18) 0.026(2) Uiso 1 1 d D . . . .
O44 O 0.2539(14) 0.169(2) 0.4703(18) 0.026(2) Uiso 1 1 d D . . . .
OV1 O 0.009(2) 0.905(3) 0.088(2) 0.026(7) Uiso 1 1 d . . . . .
OV2 O 0.502(3) 0.440(3) 0.571(3) 0.050(10) Uiso 1 1 d . . . . .
OW1 O 0.036(3) 0.294(5) 0.412(5) 0.118(18) Uiso 1 1 d . . . . .
OW2 O 0.493(3) 1.049(4) 0.915(3) 0.064(10) Uiso 1 1 d . . . . .
OW3 O -0.112(4) 0.396(7) -0.359(6) 0.13(2) Uiso 1 1 d . . . . .
OW4 O 0.392(3) 0.424(5) 0.873(4) 0.072(13) Uiso 1 1 d . . . . .
OW5 O 0.124(3) 0.440(5) -0.360(4) 0.067(14) Uiso 1 1 d . . . . .
OW6 O 0.611(3) 0.445(4) 0.864(4) 0.051(12) Uiso 1 1 d . . . . .
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
V1 OV1 1.59(3) . ?
V1 O12 1.95(2) 2_556 ?
V1 O11 1.95(2) 2_556 ?
V1 O17 2.02(2) . ?
V1 O18 2.06(2) . ?
V1 Na11 3.053(16) 2 ?
V1 Na11 3.288(16) . ?
V1 Na21 3.30(2) . ?
V2 V2A 1.20(2) . ?
V2 OV2 1.69(3) 2_646 ?
V2 O16 1.89(3) 2_646 ?
V2 O14 1.97(3) . ?
V2 O15 2.02(2) 2_646 ?
V2 O13 2.14(2) . ?
V2 Na2A 3.16(5) . ?
V2 Na12 3.275(18) 1_545 ?
V2 Na12 3.394(18) 2_646 ?
V2 Na22 3.69(3) . ?
V2A O13 1.93(3) . ?
V2A O15 1.98(3) 2_646 ?
V2A OV2 1.95(3) . ?
V2A O16 2.01(3) 2_646 ?
V2A O14 2.06(3) . ?
V2A Na2A 2.25(6) . ?
V2A Na22 2.74(3) . ?
V2A Na12 3.09(2) 2_646 ?
V2A Na12 3.54(2) 1_545 ?
Si1 O18 1.554(19) . ?
Si1 O42 1.577(18) . ?
Si1 O23 1.582(18) 1_554 ?
Si1 O34 1.627(17) . ?
Si1 Na11 3.34(2) . ?
Si2 O22 1.633(18) 1_564 ?
Si2 O17 1.625(19) . ?
Si2 O33 1.669(17) . ?
Si2 O42 1.659(18) . ?
Si2 Na11 3.48(2) 2 ?
Si3 O22 1.563(19) . ?
Si3 O31 1.583(18) . ?
Si3 O12 1.564(19) . ?
Si3 O43 1.584(19) . ?
Si3 Na11 3.42(2) 2_546 ?
Si4 O11 1.599(19) . ?
Si4 O23 1.610(17) . ?
Si4 O32 1.632(18) 1_556 ?
Si4 O43 1.639(18) . ?
Si4 Na11 3.35(2) 1_556 ?
Si5 O13 1.574(19) . ?
Si5 O21 1.586(18) . ?
Si5 O44 1.593(18) . ?
Si5 O31 1.614(18) . ?
Si5 Na12 3.54(2) 1_545 ?
Si6 O14 1.584(19) . ?
Si6 O32 1.616(18) . ?
Si6 O44 1.648(18) . ?
Si6 O24 1.650(18) . ?
Si6 Na12 3.37(2) 2_646 ?
Si7 O16 1.605(19) . ?
Si7 O21 1.647(18) 1_565 ?
Si7 O41 1.625(18) . ?
Si7 O33 1.660(17) 1_556 ?
Si7 Na12 3.39(2) . ?
Si8 O15 1.552(18) . ?
Si8 O41 1.600(18) . ?
Si8 O34 1.571(18) . ?
Si8 O24 1.614(18) . ?
Si8 Na2A 3.26(6) 2_656 ?
Si8 Na12 3.42(2) 2_646 ?
Na11 O18 2.32(3) . ?
Na11 O12 2.41(3) 2_556 ?
Na11 O17 2.46(3) 2_545 ?
Na11 O11 2.39(3) 1_554 ?
Na11 OW1 2.57(5) . ?
Na11 Na21 3.32(2) 2_545 ?
Na12 O16 2.35(3) . ?
Na12 OW2 2.26(4) . ?
Na12 O14 2.33(3) 2_656 ?
Na12 O15 2.42(3) 2_656 ?
Na12 O13 2.56(3) 1_565 ?
Na12 Na2A 3.25(5) 1_565 ?
Na21 O17 2.37(3) . ?
Na21 OV1 2.44(3) 2_545 ?
Na21 OW1 2.51(5) 2 ?
Na21 OW5 2.54(5) . ?
Na21 O11 2.55(3) 2_556 ?
Na21 OW3 2.55(6) . ?
Na22 Na2A 0.70(6) . ?
Na22 OW4 1.92(5) . ?
Na22 OV2 2.43(5) . ?
Na22 OW6 2.43(5) . ?
Na22 O13 2.61(4) . ?
Na22 OW2 2.83(4) 1_545 ?
Na22 O15 2.87(4) 2_646 ?
Na2A OV2 2.21(6) . ?
Na2A O15 2.21(6) 2_646 ?
Na2A O13 2.42(6) . ?
Na2A OW6 2.50(6) . ?
Na2A OW4 2.61(7) . ?
Na2A OW2 2.86(6) 1_545 ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
OV1 V1 O12 103.8(13) . 2_556 ?
OV1 V1 O11 106.8(14) . 2_556 ?
O12 V1 O11 87.8(10) 2_556 2_556 ?
OV1 V1 O17 105.6(13) . . ?
O12 V1 O17 150.6(10) 2_556 . ?
O11 V1 O17 82.6(8) 2_556 . ?
OV1 V1 O18 98.5(13) . . ?
O12 V1 O18 85.5(8) 2_556 . ?
O11 V1 O18 154.7(10) 2_556 . ?
O17 V1 O18 91.5(9) . . ?
OV1 V1 Na11 75.9(10) . 2 ?
O12 V1 Na11 135.1(8) 2_556 2 ?
O11 V1 Na11 51.6(8) 2_556 2 ?
O17 V1 Na11 53.4(8) . 2 ?
O18 V1 Na11 139.3(8) . 2 ?
OV1 V1 Na11 122.9(10) . . ?
O12 V1 Na11 46.8(8) 2_556 . ?
O11 V1 Na11 116.7(9) 2_556 . ?
O17 V1 Na11 114.8(8) . . ?
O18 V1 Na11 44.5(7) . . ?
Na11 V1 Na11 161.3(4) 2 . ?
OV1 V1 Na21 138.5(10) . . ?
O12 V1 Na21 108.4(8) 2_556 . ?
O11 V1 Na21 50.3(7) 2_556 . ?
O17 V1 Na21 45.5(7) . . ?
O18 V1 Na21 109.4(8) . . ?
Na11 V1 Na21 62.9(5) 2 . ?
Na11 V1 Na21 98.4(4) . . ?
V2A V2 OV2 160.9(16) . 2_646 ?
V2A V2 O16 77.6(13) . 2_646 ?
OV2 V2 O16 118.2(15) 2_646 2_646 ?
V2A V2 O14 77.0(12) . . ?
OV2 V2 O14 114.0(16) 2_646 . ?
O16 V2 O14 82.3(9) 2_646 . ?
V2A V2 O15 70.7(12) . 2_646 ?
OV2 V2 O15 97.5(15) 2_646 2_646 ?
O16 V2 O15 89.1(10) 2_646 2_646 ?
O14 V2 O15 147.7(11) . 2_646 ?
V2A V2 O13 63.7(12) . . ?
OV2 V2 O13 99.8(14) 2_646 . ?
O16 V2 O13 141.3(11) 2_646 . ?
O14 V2 O13 88.6(10) . . ?
O15 V2 O13 78.8(8) 2_646 . ?
V2A V2 Na2A 33.0(12) . . ?
OV2 V2 Na2A 129.0(15) 2_646 . ?
O16 V2 Na2A 96.7(12) 2_646 . ?
O14 V2 Na2A 106.0(13) . . ?
O15 V2 Na2A 44.0(12) 2_646 . ?
O13 V2 Na2A 50.0(12) . . ?
V2A V2 Na12 92.9(9) . 1_545 ?
OV2 V2 Na12 68.4(11) 2_646 1_545 ?
O16 V2 Na12 135.7(9) 2_646 1_545 ?
O14 V2 Na12 138.1(8) . 1_545 ?
O15 V2 Na12 47.6(8) 2_646 1_545 ?
O13 V2 Na12 51.5(7) . 1_545 ?
Na2A V2 Na12 60.7(9) . 1_545 ?
V2A V2 Na12 65.2(9) . 2_646 ?
OV2 V2 Na12 133.6(12) 2_646 2_646 ?
O16 V2 Na12 41.8(8) 2_646 2_646 ?
O14 V2 Na12 41.7(8) . 2_646 ?
O15 V2 Na12 118.4(9) 2_646 2_646 ?
O13 V2 Na12 114.5(8) . 2_646 ?
Na2A V2 Na12 97.4(9) . 2_646 ?
Na12 V2 Na12 158.1(5) 1_545 2_646 ?
V2A V2 Na22 31.5(9) . . ?
OV2 V2 Na22 129.5(13) 2_646 . ?
O16 V2 Na22 101.2(9) 2_646 . ?
O14 V2 Na22 100.6(10) . . ?
O15 V2 Na22 50.6(9) 2_646 . ?
O13 V2 Na22 43.7(8) . . ?
Na2A V2 Na22 7.5(12) . . ?
Na12 V2 Na22 61.4(6) 1_545 . ?
Na12 V2 Na22 96.7(6) 2_646 . ?
V2 V2A O13 82.4(13) . . ?
V2 V2A O15 74.4(13) . 2_646 ?
O13 V2A O15 84.9(10) . 2_646 ?
V2 V2A OV2 164.5(17) . . ?
O13 V2A OV2 111.8(15) . . ?
O15 V2A OV2 111.8(16) 2_646 . ?
V2 V2A O16 66.7(12) . 2_646 ?
O13 V2A O16 149.1(13) . 2_646 ?
O15 V2A O16 87.0(12) 2_646 2_646 ?
OV2 V2A O16 98.9(15) . 2_646 ?
V2 V2A O14 68.4(11) . . ?
O13 V2A O14 91.7(12) . . ?
O15 V2A O14 142.8(13) 2_646 . ?
OV2 V2A O14 103.9(16) . . ?
O16 V2A O14 77.2(9) 2_646 . ?
V2 V2A Na2A 130.1(18) . . ?
O13 V2A Na2A 70.4(17) . . ?
O15 V2A Na2A 62.6(17) 2_646 . ?
OV2 V2A Na2A 63.2(16) . . ?
O16 V2A Na2A 130(2) 2_646 . ?
O14 V2A Na2A 149(2) . . ?
V2 V2A Na22 135.3(13) . . ?
O13 V2A Na22 65.1(11) . . ?
O15 V2A Na22 72.9(11) 2_646 . ?
OV2 V2A Na22 59.5(12) . . ?
O16 V2A Na22 139.4(13) 2_646 . ?
O14 V2A Na22 138.0(13) . . ?
Na2A V2A Na22 11.3(17) . . ?
V2 V2A Na12 94.1(9) . 2_646 ?
O13 V2A Na12 137.5(11) . 2_646 ?
O15 V2A Na12 135.1(11) 2_646 2_646 ?
OV2 V2A Na12 71.4(11) . 2_646 ?
O16 V2A Na12 49.6(9) 2_646 2_646 ?
O14 V2A Na12 48.9(8) . 2_646 ?
Na2A V2A Na12 134.0(15) . 2_646 ?
Na22 V2A Na12 130.6(9) . 2_646 ?
V2 V2A Na12 67.4(9) . 1_545 ?
O13 V2A Na12 44.8(8) . 1_545 ?
O15 V2A Na12 40.9(8) 2_646 1_545 ?
OV2 V2A Na12 126.9(11) . 1_545 ?
O16 V2A Na12 117.4(10) 2_646 1_545 ?
O14 V2A Na12 120.3(11) . 1_545 ?
Na2A V2A Na12 63.8(13) . 1_545 ?
Na22 V2A Na12 67.9(8) . 1_545 ?
Na12 V2A Na12 161.4(6) 2_646 1_545 ?
O18 Si1 O42 111.7(12) . . ?
O18 Si1 O23 112.1(11) . 1_554 ?
O42 Si1 O23 109.4(11) . 1_554 ?
O18 Si1 O34 111.3(11) . . ?
O42 Si1 O34 103.4(10) . . ?
O23 Si1 O34 108.5(11) 1_554 . ?
O18 Si1 Na11 37.9(10) . . ?
O42 Si1 Na11 140.3(9) . . ?
O23 Si1 Na11 77.0(9) 1_554 . ?
O34 Si1 Na11 111.6(9) . . ?
O22 Si2 O17 112.8(11) 1_564 . ?
O22 Si2 O33 108.9(11) 1_564 . ?
O17 Si2 O33 109.8(11) . . ?
O22 Si2 O42 105.7(11) 1_564 . ?
O17 Si2 O42 112.3(11) . . ?
O33 Si2 O42 107.1(10) . . ?
O22 Si2 Na11 74.9(9) 1_564 2 ?
O17 Si2 Na11 39.8(10) . 2 ?
O33 Si2 Na11 113.2(9) . 2 ?
O42 Si2 Na11 137.1(9) . 2 ?
O22 Si3 O31 107.9(11) . . ?
O22 Si3 O12 112.1(11) . . ?
O31 Si3 O12 111.7(12) . . ?
O22 Si3 O43 106.9(11) . . ?
O31 Si3 O43 107.5(11) . . ?
O12 Si3 O43 110.5(11) . . ?
O22 Si3 Na11 77.3(9) . 2_546 ?
O31 Si3 Na11 108.7(9) . 2_546 ?
O12 Si3 Na11 38.9(10) . 2_546 ?
O43 Si3 Na11 140.1(9) . 2_546 ?
O11 Si4 O23 113.7(11) . . ?
O11 Si4 O32 111.2(11) . 1_556 ?
O23 Si4 O32 108.1(11) . 1_556 ?
O11 Si4 O43 109.1(11) . . ?
O23 Si4 O43 107.4(11) . . ?
O32 Si4 O43 107.0(10) 1_556 . ?
O11 Si4 Na11 41.3(10) . 1_556 ?
O23 Si4 Na11 76.6(9) . 1_556 ?
O32 Si4 Na11 108.8(9) 1_556 1_556 ?
O43 Si4 Na11 140.4(10) . 1_556 ?
O13 Si5 O21 111.8(12) . . ?
O13 Si5 O44 110.9(12) . . ?
O21 Si5 O44 107.4(11) . . ?
O13 Si5 O31 110.8(12) . . ?
O21 Si5 O31 107.0(11) . . ?
O44 Si5 O31 108.9(11) . . ?
O13 Si5 Na12 40.9(10) . 1_545 ?
O21 Si5 Na12 74.6(9) . 1_545 ?
O44 Si5 Na12 140.8(9) . 1_545 ?
O31 Si5 Na12 107.6(9) . 1_545 ?
O14 Si6 O32 112.7(11) . . ?
O14 Si6 O44 111.3(11) . . ?
O32 Si6 O44 108.1(11) . . ?
O14 Si6 O24 111.9(11) . . ?
O32 Si6 O24 107.8(11) . . ?
O44 Si6 O24 104.6(10) . . ?
O14 Si6 Na12 37.7(10) . 2_646 ?
O32 Si6 Na12 106.2(9) . 2_646 ?
O44 Si6 Na12 141.7(9) . 2_646 ?
O24 Si6 Na12 80.1(9) . 2_646 ?
O16 Si7 O21 111.6(11) . 1_565 ?
O16 Si7 O41 110.9(11) . . ?
O21 Si7 O41 106.6(10) 1_565 . ?
O16 Si7 O33 110.6(11) . 1_556 ?
O21 Si7 O33 107.0(10) 1_565 1_556 ?
O41 Si7 O33 110.1(10) . 1_556 ?
O16 Si7 Na12 38.5(10) . . ?
O21 Si7 Na12 79.1(9) 1_565 . ?
O41 Si7 Na12 142.8(9) . . ?
O33 Si7 Na12 102.7(8) 1_556 . ?
O15 Si8 O41 112.3(11) . . ?
O15 Si8 O34 113.7(12) . . ?
O41 Si8 O34 107.4(11) . . ?
O15 Si8 O24 111.0(12) . . ?
O41 Si8 O24 103.8(10) . . ?
O34 Si8 O24 108.0(11) . . ?
O15 Si8 Na2A 36.2(13) . 2_656 ?
O41 Si8 Na2A 114.8(12) . 2_656 ?
O34 Si8 Na2A 79.4(12) . 2_656 ?
O24 Si8 Na2A 136.5(13) . 2_656 ?
O15 Si8 Na12 39.2(10) . 2_646 ?
O41 Si8 Na12 144.4(9) . 2_646 ?
O34 Si8 Na12 105.2(9) . 2_646 ?
O24 Si8 Na12 78.9(9) . 2_646 ?
Na2A Si8 Na12 58.2(9) 2_656 2_646 ?
O18 Na11 O12 70.1(8) . 2_556 ?
O18 Na11 O17 143.6(10) . 2_545 ?
O12 Na11 O17 97.6(10) 2_556 2_545 ?
O18 Na11 O11 99.8(11) . 1_554 ?
O12 Na11 O11 137.2(11) 2_556 1_554 ?
O17 Na11 O11 65.4(7) 2_545 1_554 ?
O18 Na11 OW1 126.3(15) . . ?
O12 Na11 OW1 135.9(15) 2_556 . ?
O17 Na11 OW1 86.8(14) 2_545 . ?
O11 Na11 OW1 84.4(14) 1_554 . ?
O18 Na11 V1 105.7(8) . 2_545 ?
O12 Na11 V1 101.2(8) 2_556 2_545 ?
O17 Na11 V1 41.4(6) 2_545 2_545 ?
O11 Na11 V1 39.7(6) 1_554 2_545 ?
OW1 Na11 V1 110.1(13) . 2_545 ?
O18 Na11 V1 38.4(6) . . ?
O12 Na11 V1 36.0(6) 2_556 . ?
O17 Na11 V1 114.3(8) 2_545 . ?
O11 Na11 V1 113.1(8) 1_554 . ?
OW1 Na11 V1 156.5(13) . . ?
V1 Na11 V1 93.1(4) 2_545 . ?
O18 Na11 Na21 146.2(10) . 2_545 ?
O12 Na11 Na21 140.6(10) 2_556 2_545 ?
O17 Na11 Na21 45.5(7) 2_545 2_545 ?
O11 Na11 Na21 49.7(7) 1_554 2_545 ?
OW1 Na11 Na21 48.3(12) . 2_545 ?
V1 Na11 Na21 62.2(5) 2_545 2_545 ?
V1 Na11 Na21 155.1(6) . 2_545 ?
O18 Na11 Si1 24.3(6) . . ?
O12 Na11 Si1 94.0(7) 2_556 . ?
O17 Na11 Si1 138.6(8) 2_545 . ?
O11 Na11 Si1 79.2(8) 1_554 . ?
OW1 Na11 Si1 111.3(13) . . ?
V1 Na11 Si1 97.4(5) 2_545 . ?
V1 Na11 Si1 60.0(4) . . ?
Na21 Na11 Si1 122.2(7) 2_545 . ?
O18 Na11 Si4 78.0(8) . 1_554 ?
O12 Na11 Si4 137.3(9) 2_556 1_554 ?
O17 Na11 Si4 91.5(7) 2_545 1_554 ?
O11 Na11 Si4 26.1(5) 1_554 1_554 ?
OW1 Na11 Si4 86.0(12) . 1_554 ?
V1 Na11 Si4 60.8(4) 2_545 1_554 ?
V1 Na11 Si4 102.8(5) . 1_554 ?
Na21 Na11 Si4 68.7(5) 2_545 1_554 ?
Si1 Na11 Si4 55.0(4) . 1_554 ?
O18 Na11 Si3 94.1(7) . 2_556 ?
O12 Na11 Si3 24.0(5) 2_556 2_556 ?
O17 Na11 Si3 77.7(8) 2_545 2_556 ?
O11 Na11 Si3 134.2(9) 1_554 2_556 ?
OW1 Na11 Si3 120.7(13) . 2_556 ?
V1 Na11 Si3 94.6(5) 2_545 2_556 ?
V1 Na11 Si3 58.6(4) . 2_556 ?
Na21 Na11 Si3 117.3(7) 2_545 2_556 ?
Si1 Na11 Si3 117.9(5) . 2_556 ?
Si4 Na11 Si3 149.9(6) 1_554 2_556 ?
O18 Na11 Si2 138.7(9) . 2_545 ?
O12 Na11 Si2 75.6(8) 2_556 2_545 ?
O17 Na11 Si2 25.0(5) 2_545 2_545 ?
O11 Na11 Si2 89.9(7) 1_554 2_545 ?
OW1 Na11 Si2 94.4(13) . 2_545 ?
V1 Na11 Si2 59.2(4) 2_545 2_545 ?
V1 Na11 Si2 101.0(5) . 2_545 ?
Na21 Na11 Si2 65.2(5) 2_545 2_545 ?
Si1 Na11 Si2 150.7(6) . 2_545 ?
Si4 Na11 Si2 115.8(5) 1_554 2_545 ?
Si3 Na11 Si2 53.7(4) 2_556 2_545 ?
O16 Na12 OW2 139.2(14) . . ?
O16 Na12 O14 65.7(8) . 2_656 ?
OW2 Na12 O14 133.0(14) . 2_656 ?
O16 Na12 O15 125.3(10) . 2_656 ?
OW2 Na12 O15 93.0(12) . 2_656 ?
O14 Na12 O15 92.5(11) 2_656 2_656 ?
O16 Na12 O13 93.3(10) . 1_565 ?
OW2 Na12 O13 91.7(12) . 1_565 ?
O14 Na12 O13 131.9(11) 2_656 1_565 ?
O15 Na12 O13 63.9(7) 2_656 1_565 ?
O16 Na12 V2A 40.5(6) . 2_656 ?
OW2 Na12 V2A 174.6(12) . 2_656 ?
O14 Na12 V2A 41.9(7) 2_656 2_656 ?
O15 Na12 V2A 89.3(8) 2_656 2_656 ?
O13 Na12 V2A 93.7(8) 1_565 2_656 ?
O16 Na12 V2 91.8(8) . 1_565 ?
OW2 Na12 V2 117.1(10) . 1_565 ?
O14 Na12 V2 94.7(8) 2_656 1_565 ?
O15 Na12 V2 38.0(6) 2_656 1_565 ?
O13 Na12 V2 40.7(6) 1_565 1_565 ?
V2A Na12 V2 67.4(5) 2_656 1_565 ?
O16 Na12 Na2A 140.6(15) . 1_565 ?
OW2 Na12 Na2A 59.3(13) . 1_565 ?
O14 Na12 Na2A 134.3(15) 2_656 1_565 ?
O15 Na12 Na2A 42.7(11) 2_656 1_565 ?
O13 Na12 Na2A 47.4(12) 1_565 1_565 ?
V2A Na12 Na2A 124.9(12) 2_656 1_565 ?
V2 Na12 Na2A 57.8(10) 1_565 1_565 ?
O16 Na12 Si6 90.1(7) . 2_656 ?
OW2 Na12 Si6 115.7(12) . 2_656 ?
O14 Na12 Si6 24.6(6) 2_656 2_656 ?
O15 Na12 Si6 75.1(8) 2_656 2_656 ?
O13 Na12 Si6 131.7(8) 1_565 2_656 ?
V2A Na12 Si6 60.1(5) 2_656 2_656 ?
V2 Na12 Si6 91.1(5) 1_565 2_656 ?
Na2A Na12 Si6 112.9(13) 1_565 2_656 ?
O16 Na12 Si7 25.1(6) . . ?
OW2 Na12 Si7 121.1(12) . . ?
O14 Na12 Si7 90.9(7) 2_656 . ?
O15 Na12 Si7 127.4(8) 2_656 . ?
O13 Na12 Si7 75.4(7) 1_565 . ?
V2A Na12 Si7 60.7(5) 2_656 . ?
V2 Na12 Si7 89.4(5) 1_565 . ?
Na2A Na12 Si7 121.2(13) 1_565 . ?
Si6 Na12 Si7 115.1(5) 2_656 . ?
O16 Na12 V2 32.4(6) . 2_656 ?
OW2 Na12 V2 154.8(11) . 2_656 ?
O14 Na12 V2 34.2(6) 2_656 2_656 ?
O15 Na12 V2 107.3(8) 2_656 2_656 ?
O13 Na12 V2 110.5(8) 1_565 2_656 ?
V2A Na12 V2 20.7(4) 2_656 2_656 ?
V2 Na12 V2 88.1(4) 1_565 2_656 ?
Na2A Na12 V2 145.5(11) 1_565 2_656 ?
Si6 Na12 V2 58.0(4) 2_656 2_656 ?
Si7 Na12 V2 57.2(4) . 2_656 ?
O16 Na12 Si8 129.2(8) . 2_656 ?
OW2 Na12 Si8 91.4(11) . 2_656 ?
O14 Na12 Si8 76.3(8) 2_656 2_656 ?
O15 Na12 Si8 23.9(6) 2_656 2_656 ?
O13 Na12 Si8 87.7(7) 1_565 2_656 ?
V2A Na12 Si8 88.6(6) 2_656 2_656 ?
V2 Na12 Si8 58.2(4) 1_565 2_656 ?
Na2A Na12 Si8 58.4(11) 1_565 2_656 ?
Si6 Na12 Si8 54.8(5) 2_656 2_656 ?
Si7 Na12 Si8 143.1(6) . 2_656 ?
V2 Na12 Si8 101.0(6) 2_656 2_656 ?
O17 Na21 OV1 90.6(11) . 2_545 ?
O17 Na21 OW1 90.3(14) . 2 ?
OV1 Na21 OW1 167.0(16) 2_545 2 ?
O17 Na21 OW5 98.7(13) . . ?
OV1 Na21 OW5 87.2(13) 2_545 . ?
OW1 Na21 OW5 105.4(17) 2 . ?
O17 Na21 O11 64.4(8) . 2_556 ?
OV1 Na21 O11 86.1(11) 2_545 2_556 ?
OW1 Na21 O11 82.7(14) 2 2_556 ?
OW5 Na21 O11 161.7(14) . 2_556 ?
O17 Na21 OW3 169.2(17) . . ?
OV1 Na21 OW3 79.2(16) 2_545 . ?
OW1 Na21 OW3 98.8(18) 2 . ?
OW5 Na21 OW3 84.6(16) . . ?
O11 Na21 OW3 110.7(16) 2_556 . ?
O17 Na21 Na11 47.7(7) . 2 ?
OV1 Na21 Na11 123.8(10) 2_545 2 ?
OW1 Na21 Na11 50.1(12) 2 2 ?
OW5 Na21 Na11 128.1(12) . 2 ?
O11 Na21 Na11 45.8(7) 2_556 2 ?
OW3 Na21 Na11 136.5(16) . 2 ?
O17 Na21 V1 37.5(6) . . ?
OV1 Na21 V1 69.1(8) 2_545 . ?
OW1 Na21 V1 104.6(13) 2 . ?
OW5 Na21 V1 125.8(12) . . ?
O11 Na21 V1 36.1(6) 2_556 . ?
OW3 Na21 V1 133.1(15) . . ?
Na11 Na21 V1 54.9(4) 2 . ?
Na2A Na22 OW4 171(6) . . ?
Na2A Na22 OV2 64(5) . . ?
OW4 Na22 OV2 107(2) . . ?
Na2A Na22 OW6 87(5) . . ?
OW4 Na22 OW6 92.2(17) . . ?
OV2 Na22 OW6 89.4(16) . . ?
Na2A Na22 O13 67(5) . . ?
OW4 Na22 O13 113(2) . . ?
OV2 Na22 O13 79.3(13) . . ?
OW6 Na22 O13 154.0(18) . . ?
Na2A Na22 V2A 39(5) . . ?
OW4 Na22 V2A 135(2) . . ?
OV2 Na22 V2A 43.8(9) . . ?
OW6 Na22 V2A 115.6(16) . . ?
O13 Na22 V2A 42.3(8) . . ?
Na2A Na22 OW2 86(6) . 1_545 ?
OW4 Na22 OW2 102.7(19) . 1_545 ?
OV2 Na22 OW2 148.1(16) . 1_545 ?
OW6 Na22 OW2 99.8(17) . 1_545 ?
O13 Na22 OW2 79.3(11) . 1_545 ?
V2A Na22 OW2 105.8(12) . 1_545 ?
Na2A Na22 O15 15(5) . 2_646 ?
OW4 Na22 O15 170(2) . 2_646 ?
OV2 Na22 O15 75.3(12) . 2_646 ?
OW6 Na22 O15 97.1(15) . 2_646 ?
O13 Na22 O15 57.4(9) . 2_646 ?
V2A Na22 O15 41.3(8) . 2_646 ?
OW2 Na22 O15 73.3(11) 1_545 2_646 ?
Na2A Na22 Na12 57(5) . 1_545 ?
OW4 Na22 Na12 129.6(19) . 1_545 ?
OV2 Na22 Na12 110.2(12) . 1_545 ?
OW6 Na22 Na12 120.1(17) . 1_545 ?
O13 Na22 Na12 45.8(8) . 1_545 ?
V2A Na22 Na12 66.8(8) . 1_545 ?
OW2 Na22 Na12 39.3(8) 1_545 1_545 ?
O15 Na22 Na12 42.5(7) 2_646 1_545 ?
Na2A Na22 V2 36(5) . . ?
OW4 Na22 V2 141(2) . . ?
OV2 Na22 V2 57.0(9) . . ?
OW6 Na22 V2 120.6(15) . . ?
O13 Na22 V2 34.5(7) . . ?
V2A Na22 V2 13.2(5) . . ?
OW2 Na22 V2 92.6(10) 1_545 . ?
O15 Na22 V2 33.0(6) 2_646 . ?
Na12 Na22 V2 53.5(5) 1_545 . ?
Na22 Na2A OV2 100(6) . . ?
Na22 Na2A O15 160(6) . 2_646 ?
OV2 Na2A O15 95(2) . 2_646 ?
Na22 Na2A V2A 129(7) . . ?
OV2 Na2A V2A 51.9(14) . . ?
O15 Na2A V2A 52.9(15) 2_646 . ?
Na22 Na2A O13 98(6) . . ?
OV2 Na2A O13 88(2) . . ?
O15 Na2A O13 69.5(16) 2_646 . ?
V2A Na2A O13 48.7(14) . . ?
Na22 Na2A OW6 77(5) . . ?
OV2 Na2A OW6 93(2) . . ?
O15 Na2A OW6 116(3) 2_646 . ?
V2A Na2A OW6 135(3) . . ?
O13 Na2A OW6 175(3) . . ?
Na22 Na2A OW4 6(5) . . ?
OV2 Na2A OW4 93(2) . . ?
O15 Na2A OW4 165(3) 2_646 . ?
V2A Na2A OW4 126(3) . . ?
O13 Na2A OW4 98(2) . . ?
OW6 Na2A OW4 76.4(17) . . ?
Na22 Na2A OW2 80(6) . 1_545 ?
OV2 Na2A OW2 169(3) . 1_545 ?
O15 Na2A OW2 83.2(18) 2_646 1_545 ?
V2A Na2A OW2 120(2) . 1_545 ?
O13 Na2A OW2 81.7(17) . 1_545 ?
OW6 Na2A OW2 97(2) . 1_545 ?
OW4 Na2A OW2 86.4(19) . 1_545 ?
Na22 Na2A V2 136(6) . . ?
OV2 Na2A V2 68.6(16) . . ?
O15 Na2A V2 39.6(10) 2_646 . ?
V2A Na2A V2 16.9(7) . . ?
O13 Na2A V2 42.5(10) . . ?
OW6 Na2A V2 142(2) . . ?
OW4 Na2A V2 134(2) . . ?
OW2 Na2A V2 104.2(16) 1_545 . ?
Na22 Na2A Si8 160(7) . 2_646 ?
OV2 Na2A Si8 98(2) . 2_646 ?
O15 Na2A Si8 24.5(9) 2_646 2_646 ?
V2A Na2A Si8 70.4(16) . 2_646 ?
O13 Na2A Si8 93.9(17) . 2_646 ?
OW6 Na2A Si8 91(2) . 2_646 ?
OW4 Na2A Si8 164(2) . 2_646 ?
OW2 Na2A Si8 85.0(16) 1_545 2_646 ?
V2 Na2A Si8 61.0(10) . 2_646 ?
Na22 Na2A Na12 112(6) . 1_545 ?
OV2 Na2A Na12 130(2) . 1_545 ?
O15 Na2A Na12 48.2(11) 2_646 1_545 ?
V2A Na2A Na12 77.9(15) . 1_545 ?
O13 Na2A Na12 51.2(11) . 1_545 ?
OW6 Na2A Na12 131(2) . 1_545 ?
OW4 Na2A Na12 117(2) . 1_545 ?
OW2 Na2A Na12 42.8(10) 1_545 1_545 ?
V2 Na2A Na12 61.4(9) . 1_545 ?
Si8 Na2A Na12 63.3(11) 2_646 1_545 ?
Si4 O11 V1 132.6(14) . 2_546 ?
Si4 O11 Na11 112.6(14) . 1_556 ?
V1 O11 Na11 88.7(10) 2_546 1_556 ?
Si4 O11 Na21 128.9(14) . 2_546 ?
V1 O11 Na21 93.5(9) 2_546 2_546 ?
Na11 O11 Na21 84.4(9) 1_556 2_546 ?
Si3 O12 V1 138.3(15) . 2_546 ?
Si3 O12 Na11 117.1(13) . 2_546 ?
V1 O12 Na11 97.2(10) 2_546 2_546 ?
Si5 O13 V2A 136.7(16) . . ?
Si5 O13 V2 126.0(14) . . ?
V2A O13 V2 33.9(7) . . ?
Si5 O13 Na2A 141(2) . . ?
V2A O13 Na2A 60.9(15) . . ?
V2 O13 Na2A 87.5(15) . . ?
Si5 O13 Na12 115.5(13) . 1_545 ?
V2A O13 Na12 103.1(11) . 1_545 ?
V2 O13 Na12 87.8(9) . 1_545 ?
Na2A O13 Na12 81.4(14) . 1_545 ?
Si5 O13 Na22 125.7(15) . . ?
V2A O13 Na22 72.6(10) . . ?
V2 O13 Na22 101.8(11) . . ?
Na2A O13 Na22 15.3(14) . . ?
Na12 O13 Na22 87.4(10) 1_545 . ?
Si6 O14 V2 134.6(15) . . ?
Si6 O14 V2A 125.4(14) . . ?
V2 O14 V2A 34.6(7) . . ?
Si6 O14 Na12 117.8(15) . 2_646 ?
V2 O14 Na12 104.1(10) . 2_646 ?
V2A O14 Na12 89.2(11) . 2_646 ?
Si8 O15 V2A 136.0(16) . 2_656 ?
Si8 O15 V2 130.9(14) . 2_656 ?
V2A O15 V2 34.9(7) 2_656 2_656 ?
Si8 O15 Na2A 119.3(19) . 2_656 ?
V2A O15 Na2A 64.6(17) 2_656 2_656 ?
V2 O15 Na2A 96.4(17) 2_656 2_656 ?
Si8 O15 Na12 117.0(14) . 2_646 ?
V2A O15 Na12 106.6(11) 2_656 2_646 ?
V2 O15 Na12 94.4(9) 2_656 2_646 ?
Na2A O15 Na12 89.1(15) 2_656 2_646 ?
Si8 O15 Na22 121.9(14) . 2_656 ?
V2A O15 Na22 65.8(10) 2_656 2_656 ?
V2 O15 Na22 96.4(11) 2_656 2_656 ?
Na2A O15 Na22 4.7(16) 2_656 2_656 ?
Na12 O15 Na22 84.4(10) 2_646 2_656 ?
Si7 O16 V2 136.3(15) . 2_656 ?
Si7 O16 V2A 130.1(14) . 2_656 ?
V2 O16 V2A 35.7(7) 2_656 2_656 ?
Si7 O16 Na12 116.4(14) . . ?
V2 O16 Na12 105.8(10) 2_656 . ?
V2A O16 Na12 89.9(10) 2_656 . ?
Si2 O17 V1 125.2(13) . . ?
Si2 O17 Na21 132.2(14) . . ?
V1 O17 Na21 97.0(9) . . ?
Si2 O17 Na11 115.2(13) . 2 ?
V1 O17 Na11 85.2(9) . 2 ?
Na21 O17 Na11 86.8(9) . 2 ?
Si1 O18 V1 133.0(14) . . ?
Si1 O18 Na11 117.8(14) . . ?
V1 O18 Na11 97.0(9) . . ?
Si5 O21 Si7 152.1(16) . 1_545 ?
Si3 O22 Si2 154.2(16) . 1_546 ?
Si1 O23 Si4 151.4(16) 1_556 . ?
Si8 O24 Si6 146.3(15) . . ?
Si3 O31 Si5 137.8(16) . . ?
Si6 O32 Si4 137.0(16) . 1_554 ?
Si2 O33 Si7 134.5(15) . 1_554 ?
Si8 O34 Si1 136.9(15) . . ?
Si8 O41 Si7 129.7(14) . . ?
Si1 O42 Si2 130.4(14) . . ?
Si3 O43 Si4 130.2(14) . . ?
Si5 O44 Si6 132.1(14) . . ?
V1 OV1 Na21 155.7(16) . 2 ?
V2 OV2 V2A 152(2) 2_656 . ?
V2 OV2 Na2A 143(2) 2_656 . ?
V2A OV2 Na2A 65.0(16) . . ?
V2 OV2 Na22 129.8(18) 2_656 . ?
V2A OV2 Na22 76.7(13) . . ?
Na2A OV2 Na22 16.4(15) . . ?
Na21 OW1 Na11 81.6(16) 2_545 . ?
Na12 OW2 Na22 88.5(13) . 1_565 ?
Na12 OW2 Na2A 77.9(14) . 1_565 ?
Na22 OW2 Na2A 14.0(11) 1_565 1_565 ?
Na22 OW4 Na2A 2.3(17) . . ?
Na22 OW6 Na2A 16.2(14) . . ?
 
_refine_diff_density_max    1.338
_refine_diff_density_min   -0.982
_refine_diff_density_rms    0.230



data_III
_database_code_depnum_ccdc_archive 'CCDC 1863349' 
#data_crystal_Y_125 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'H0 Na2 O11 Si4 V' 
_chemical_formula_weight          385.28

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Na'  'Na'   0.0362   0.0249
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0817   0.0704
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'V'  'V'   0.3005   0.5294
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            4
_space_group_name_H-M_alt         'P 21'
_space_group_name_Hall            'P 2yb'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z'
 
_cell_length_a                    12.584(16)
_cell_length_b                    9.525(13)
_cell_length_c                    9.696(14)
_cell_angle_alpha                 90
_cell_angle_beta                  90.10(4)
_cell_angle_gamma                 90
_cell_volume                      1162(3)
_cell_formula_units_Z             4
_cell_measurement_temperature     398(2)
_cell_measurement_reflns_used     1536
_cell_measurement_theta_min       1.6
_cell_measurement_theta_max       21.03
 
_exptl_crystal_description        prismatic
_exptl_crystal_colour             blue
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     2.202          
_exptl_crystal_F_000              756
_exptl_transmission_factor_min    0.4829
_exptl_transmission_factor_max    0.7454
_exptl_crystal_size_max           0.10
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.03
_exptl_absorpt_coefficient_mu     1.387
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    '(SADABS; Bruker, 2003)'
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       398(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker D8 Venture'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             1536
_diffrn_reflns_av_unetI/netI      0.1568
_diffrn_reflns_av_R_equivalents   0.0822
_diffrn_reflns_limit_h_min        -7
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -9
_diffrn_reflns_limit_k_max        5
_diffrn_reflns_limit_l_min        -9
_diffrn_reflns_limit_l_max        9
_diffrn_reflns_theta_min          2.654
_diffrn_reflns_theta_max          21.031
_diffrn_reflns_theta_full         21.031
_diffrn_measured_fraction_theta_max   0.589
_diffrn_measured_fraction_theta_full  0.589
_diffrn_reflns_Laue_measured_fraction_max    0.589
_diffrn_reflns_Laue_measured_fraction_full   0.589
_diffrn_reflns_point_group_measured_fraction_max   0.431
_diffrn_reflns_point_group_measured_fraction_full  0.432
_reflns_number_total              1081
_reflns_number_gt                 610
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.360
_reflns_Friedel_fraction_max      0.247
_reflns_Friedel_fraction_full     0.248
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.

 The structure represents a case of allotwinning 
 between two polytypes characterized by different orientation 
 of the V=O bond in the VO5 pyramids.
 In our refinement strategy, we selected space group P21 
 as compromise to refine both polytypes simultaneously 
 and in agreement with systematic extintions.
 
 The reasons for limited theta range are:
 1) VSH-13Na is a microporous compound having the general 
    charachteristics of poor scattering behavior
 2) it is characterized by a submicroscopic intergrowth of two polytypes 
    of different space group symmetry
 3) we could synthesize only small crystals (largest 0.1x0.05x0.03 mm)
 4) limited accessibility of the detector due to mount 
    of the heating device.
;

 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_abs_structure_details
;
 Twinning involves inversion, so Flack parameter cannot be determined
;
_refine_ls_abs_structure_Flack    ?
_chemical_absolute_configuration  ?
_refine_ls_number_reflns          1081
_refine_ls_number_parameters      137
_refine_ls_number_restraints      83
_refine_ls_R_factor_all           0.1772
_refine_ls_R_factor_gt            0.1128
_refine_ls_wR_factor_ref          0.3221
_refine_ls_wR_factor_gt           0.2798
_refine_ls_goodness_of_fit_ref    1.055
_refine_ls_restrained_S_all       1.063
_refine_ls_shift/su_max           0.110
_refine_ls_shift/su_mean          0.024
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
V1 V -0.014(2) 0.6867(19) 0.0266(19) 0.047(3) Uiso 1 1 d . . . . .
V2 V 0.485(3) 0.279(3) 0.476(3) 0.047(3) Uiso 0.622 1 d D . P . .
V2A V 0.507(3) 0.204(4) 0.536(4) 0.047(3) Uiso 0.378 1 d D . P . .
Si1 Si 0.247(2) 0.3311(18) 0.026(2) 0.0443(18) Uiso 1 1 d D . . . .
Si2 Si 0.1601(19) 0.151(2) 0.244(2) 0.0443(18) Uiso 1 1 d D . . . .
Si3 Si 0.164(2) 0.822(2) 0.247(2) 0.0443(18) Uiso 1 1 d D . . . .
Si4 Si 0.247(2) 0.6525(18) 0.023(2) 0.0443(18) Uiso 1 1 d D . . . .
Si5 Si 0.256(2) 0.8339(17) 0.517(2) 0.0443(18) Uiso 1 1 d D . . . .
Si6 Si 0.337(2) 0.651(2) 0.747(2) 0.0443(18) Uiso 1 1 d D . . . .
Si7 Si 0.249(2) 0.1485(18) 0.519(2) 0.0443(18) Uiso 1 1 d D . . . .
Si8 Si 0.333(2) 0.322(2) 0.746(2) 0.0443(18) Uiso 1 1 d D . . . .
Na11 Na 0.085(4) 0.491(3) -0.210(6) 0.064(5) Uiso 1 1 d . . . . .
Na12 Na 0.417(4) -0.002(4) 0.286(5) 0.064(5) Uiso 1 1 d . . . . .
Na21 Na -0.099(4) 0.371(4) 0.225(6) 0.077(10) Uiso 1 1 d . . . . .
Na22 Na 0.586(8) 0.130(9) 0.741(10) 0.077(10) Uiso 0.622 1 d . . P . .
Na2A Na 0.622(11) 0.127(15) 0.715(17) 0.077(10) Uiso 0.378 1 d . . P . .
O11 O 0.124(3) 0.665(4) -0.033(5) 0.041(3) Uiso 1 1 d D . . . .
O12 O 0.054(3) 0.790(4) 0.189(4) 0.041(3) Uiso 1 1 d D . . . .
O13 O 0.370(3) 0.820(4) 0.457(5) 0.041(3) Uiso 1 1 d D . . . .
O14 O 0.455(3) 0.669(4) 0.683(4) 0.041(3) Uiso 1 1 d D . . . .
O15 O 0.447(3) 0.303(4) 0.681(5) 0.041(3) Uiso 1 1 d D . . . .
O16 O 0.364(3) 0.165(4) 0.449(4) 0.041(3) Uiso 1 1 d D . . . .
O17 O 0.046(3) 0.175(5) 0.169(4) 0.041(3) Uiso 1 1 d D . . . .
O18 O 0.129(3) 0.326(4) -0.041(5) 0.041(3) Uiso 1 1 d D . . . .
O21 O 0.226(3) 0.985(2) 0.563(3) 0.042(5) Uiso 1 1 d D . . . .
O22 O 0.192(3) 0.983(2) 0.240(3) 0.042(5) Uiso 1 1 d D . . . .
O23 O 0.281(3) 0.491(2) 0.061(3) 0.042(5) Uiso 1 1 d D . . . .
O24 O 0.299(3) 0.487(2) 0.751(3) 0.042(5) Uiso 1 1 d D . . . .
O31 O 0.170(3) 0.778(3) 0.407(3) 0.033(5) Uiso 1 1 d D . . . .
O32 O 0.331(3) 0.716(3) 0.907(3) 0.033(5) Uiso 1 1 d D . . . .
O33 O 0.156(3) 0.198(3) 0.410(3) 0.033(5) Uiso 1 1 d D . . . .
O34 O 0.332(3) 0.269(3) -0.091(3) 0.033(5) Uiso 1 1 d D . . . .
O41 O 0.242(3) 0.240(3) 0.662(3) 0.041(5) Uiso 1 1 d D . . . .
O42 O 0.255(3) 0.240(3) 0.167(3) 0.041(5) Uiso 1 1 d D . . . .
O43 O 0.257(3) 0.743(3) 0.169(3) 0.041(5) Uiso 1 1 d D . . . .
O44 O 0.247(3) 0.737(3) 0.652(3) 0.041(5) Uiso 1 1 d D . . . .
OV1 O -0.050(4) 0.545(4) 0.099(5) 0.018(12) Uiso 1 1 d . . . . .
OV2 O 0.469(10) 0.447(7) 0.448(12) 0.10(4) Uiso 0.622 1 d D . P . .
OV2A O 0.495(18) 0.127(17) 0.690(13) 0.10(4) Uiso 0.378 1 d D . P . .
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
V1 OV1 1.59(4) . ?
V1 O11 1.84(4) . ?
V1 O17 1.94(5) 2 ?
V1 O18 1.97(5) 2 ?
V1 O12 2.05(4) . ?
V1 Na11 3.21(5) . ?
V1 Na21 3.32(6) 2 ?
V1 Na11 3.52(4) 2 ?
V2 V2A 0.96(4) . ?
V2 OV2 1.64(7) . ?
V2 O16 1.89(5) . ?
V2 O13 1.98(5) 2_646 ?
V2 O14 2.01(5) 2_646 ?
V2 O15 2.05(5) . ?
V2 Na22 3.20(11) . ?
V2 Na2A 3.23(16) . ?
V2 Na12 3.36(5) . ?
V2 Na12 3.35(5) 2_656 ?
V2A OV2A 1.67(8) . ?
V2A O15 1.85(6) . ?
V2A O13 1.90(5) 2_646 ?
V2A O16 2.02(5) . ?
V2A O14 2.20(6) 2_646 ?
V2A Na22 2.33(11) . ?
V2A Na2A 2.37(16) . ?
V2A Na12 3.32(6) . ?
V2A Na12 3.42(5) 2_656 ?
Si1 O18 1.62(3) . ?
Si1 O23 1.62(3) . ?
Si1 O42 1.62(3) . ?
Si1 O34 1.66(3) . ?
Si1 Na11 3.42(6) . ?
Si2 O17 1.62(3) . ?
Si2 O42 1.64(3) . ?
Si2 O22 1.65(3) 1_545 ?
Si2 O33 1.67(3) . ?
Si2 Na11 3.46(5) 2_545 ?
Si3 O12 1.52(3) . ?
Si3 O43 1.58(3) . ?
Si3 O22 1.58(3) . ?
Si3 O31 1.60(3) . ?
Si3 Na2A 3.29(14) 2_656 ?
Si4 O23 1.63(3) . ?
Si4 O11 1.64(3) . ?
Si4 O32 1.66(3) 1_554 ?
Si4 O43 1.66(3) . ?
Si4 Na2A 3.03(17) 2_656 ?
Si4 Na22 3.11(11) 2_656 ?
Si4 Na11 3.41(6) . ?
Si5 O21 1.56(3) . ?
Si5 O13 1.56(3) . ?
Si5 O44 1.61(3) . ?
Si5 O31 1.60(3) . ?
Si5 Na21 3.21(6) 2_556 ?
Si5 Na2A 3.36(14) 2_656 ?
Si5 Na12 3.40(6) 1_565 ?
Si6 O14 1.62(3) . ?
Si6 O24 1.64(3) . ?
Si6 O44 1.67(3) . ?
Si6 O32 1.68(3) . ?
Si6 Na12 3.44(5) 2_656 ?
Si7 O16 1.61(3) . ?
Si7 O41 1.64(3) . ?
Si7 O21 1.64(3) 1_545 ?
Si7 O33 1.65(3) . ?
Si7 Na12 3.41(6) . ?
Si8 O15 1.58(3) . ?
Si8 O41 1.61(3) . ?
Si8 O24 1.63(3) . ?
Si8 O34 1.66(3) 1_556 ?
Na11 O18 2.33(6) . ?
Na11 O11 2.44(6) . ?
Na11 O17 2.44(6) 2 ?
Na11 O12 2.60(6) 2_545 ?
Na11 O24 2.73(7) 1_554 ?
Na11 Na21 3.63(5) 2 ?
Na12 O14 2.31(6) 2_646 ?
Na12 O16 2.33(6) . ?
Na12 O13 2.45(6) 1_545 ?
Na12 O15 2.55(6) 2_646 ?
Na12 O22 2.86(7) 1_545 ?
Na21 OV1 2.15(6) . ?
Na21 O44 2.56(6) 2_546 ?
Na21 O17 2.66(6) . ?
Na21 O11 2.72(6) 2_545 ?
Na21 O21 2.82(7) 2_546 ?
Na22 Na2A 0.53(18) . ?
Na22 OV2A 1.25(19) . ?
Na22 O43 2.42(11) 2_646 ?
Na22 O15 2.47(10) . ?
Na22 OV2 2.62(12) 2_646 ?
Na22 O13 2.70(10) 2_646 ?
Na22 O23 2.87(11) 2_646 ?
Na2A OV2A 1.6(3) . ?
Na2A O43 2.19(16) 2_646 ?
Na2A O13 2.48(15) 2_646 ?
Na2A OV2 2.60(18) 2_646 ?
Na2A O15 2.79(16) . ?
Na2A O23 2.81(16) 2_646 ?
O15 OV2A 1.78(18) . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
OV1 V1 O11 109(2) . . ?
OV1 V1 O17 109(2) . 2 ?
O11 V1 O17 83(2) . 2 ?
OV1 V1 O18 109(2) . 2 ?
O11 V1 O18 142.2(19) . 2 ?
O17 V1 O18 87(2) 2 2 ?
OV1 V1 O12 101(2) . . ?
O11 V1 O12 85(2) . . ?
O17 V1 O12 150.2(19) 2 . ?
O18 V1 O12 85.7(19) 2 . ?
OV1 V1 Na11 86.3(18) . . ?
O11 V1 Na11 49.1(16) . . ?
O17 V1 Na11 49.5(16) 2 . ?
O18 V1 Na11 136.6(19) 2 . ?
O12 V1 Na11 132.3(19) . . ?
OV1 V1 Na21 154(2) . 2 ?
O11 V1 Na21 55.0(16) . 2 ?
O17 V1 Na21 53.3(16) 2 2 ?
O18 V1 Na21 90.4(16) 2 2 ?
O12 V1 Na21 97.8(17) . 2 ?
Na11 V1 Na21 67.5(11) . 2 ?
OV1 V1 Na11 114(2) . 2 ?
O11 V1 Na11 119.4(17) . 2 ?
O17 V1 Na11 119.1(17) 2 2 ?
O18 V1 Na11 38.9(15) 2 2 ?
O12 V1 Na11 47.0(15) . 2 ?
Na11 V1 Na11 160.1(10) . 2 ?
Na21 V1 Na11 92.6(11) 2 2 ?
V2A V2 OV2 149(5) . . ?
V2A V2 O16 84(3) . . ?
OV2 V2 O16 116(5) . . ?
V2A V2 O13 71(3) . 2_646 ?
OV2 V2 O13 88(4) . 2_646 ?
O16 V2 O13 155(2) . 2_646 ?
V2A V2 O14 88(3) . 2_646 ?
OV2 V2 O14 115(5) . 2_646 ?
O16 V2 O14 84(2) . 2_646 ?
O13 V2 O14 90(2) 2_646 2_646 ?
V2A V2 O15 64(3) . . ?
OV2 V2 O15 91(5) . . ?
O16 V2 O15 91(2) . . ?
O13 V2 O15 82.8(19) 2_646 . ?
O14 V2 O15 152(2) 2_646 . ?
V2A V2 Na22 21(3) . . ?
OV2 V2 Na22 128(4) . . ?
O16 V2 Na22 100(2) . . ?
O13 V2 Na22 57(2) 2_646 . ?
O14 V2 Na22 104(2) 2_646 . ?
O15 V2 Na22 50.6(18) . . ?
V2A V2 Na2A 23(3) . . ?
OV2 V2 Na2A 128(5) . . ?
O16 V2 Na2A 106(3) . . ?
O13 V2 Na2A 50(3) 2_646 . ?
O14 V2 Na2A 97(3) 2_646 . ?
O15 V2 Na2A 59(3) . . ?
Na22 V2 Na2A 9(3) . . ?
V2A V2 Na12 80(3) . . ?
OV2 V2 Na12 131(4) . . ?
O16 V2 Na12 42.2(16) . . ?
O13 V2 Na12 124.9(18) 2_646 . ?
O14 V2 Na12 42.3(15) 2_646 . ?
O15 V2 Na12 124.1(18) . . ?
Na22 V2 Na12 100.9(18) . . ?
Na2A V2 Na12 100(3) . . ?
V2A V2 Na12 86(3) . 2_656 ?
OV2 V2 Na12 63(4) . 2_656 ?
O16 V2 Na12 139(2) . 2_656 ?
O13 V2 Na12 46.4(15) 2_646 2_656 ?
O14 V2 Na12 136(2) 2_646 2_656 ?
O15 V2 Na12 49.5(15) . 2_656 ?
Na22 V2 Na12 65.0(18) . 2_656 ?
Na2A V2 Na12 66(3) . 2_656 ?
Na12 V2 Na12 165.7(15) . 2_656 ?
V2 V2A OV2A 147(8) . . ?
V2 V2A O15 88(4) . . ?
OV2A V2A O15 61(7) . . ?
V2 V2A O13 80(3) . 2_646 ?
OV2A V2A O13 108(8) . 2_646 ?
O15 V2A O13 91(2) . 2_646 ?
V2 V2A O16 68(3) . . ?
OV2A V2A O16 102(8) . . ?
O15 V2A O16 93(3) . . ?
O13 V2A O16 148(3) 2_646 . ?
V2 V2A O14 66(3) . 2_646 ?
OV2A V2A O14 145(6) . 2_646 ?
O15 V2A O14 154(3) . 2_646 ?
O13 V2A O14 87(2) 2_646 2_646 ?
O16 V2A O14 76(2) . 2_646 ?
V2 V2A Na22 150(4) . . ?
OV2A V2A Na22 31(7) . . ?
O15 V2A Na22 72(3) . . ?
O13 V2A Na22 79(3) 2_646 . ?
O16 V2A Na22 133(3) . . ?
O14 V2A Na22 133(3) 2_646 . ?
V2 V2A Na2A 148(5) . . ?
OV2A V2A Na2A 43(8) . . ?
O15 V2A Na2A 82(4) . . ?
O13 V2A Na2A 70(4) 2_646 . ?
O16 V2A Na2A 142(4) . . ?
O14 V2A Na2A 122(4) 2_646 . ?
Na22 V2A Na2A 13(4) . . ?
V2 V2A Na12 84(3) . . ?
OV2A V2A Na12 111(7) . . ?
O15 V2A Na12 136(2) . . ?
O13 V2A Na12 130(2) 2_646 . ?
O16 V2A Na12 43.9(16) . . ?
O14 V2A Na12 43.8(15) 2_646 . ?
Na22 V2A Na12 126(3) . . ?
Na2A V2A Na12 124(4) . . ?
V2 V2A Na12 77(3) . 2_656 ?
OV2A V2A Na12 86(7) . 2_656 ?
O15 V2A Na12 46.9(17) . 2_656 ?
O13 V2A Na12 44.1(16) 2_646 2_656 ?
O16 V2A Na12 128(2) . 2_656 ?
O14 V2A Na12 123.4(19) 2_646 2_656 ?
Na22 V2A Na12 73(2) . 2_656 ?
Na2A V2A Na12 73(4) . 2_656 ?
Na12 V2A Na12 161.1(17) . 2_656 ?
O18 Si1 O23 110.3(15) . . ?
O18 Si1 O42 111.8(16) . . ?
O23 Si1 O42 108.1(14) . . ?
O18 Si1 O34 107.9(15) . . ?
O23 Si1 O34 108.4(15) . . ?
O42 Si1 O34 110.2(15) . . ?
O18 Si1 Na11 36.9(17) . . ?
O23 Si1 Na11 82.9(15) . . ?
O42 Si1 Na11 146.7(19) . . ?
O34 Si1 Na11 94.9(17) . . ?
O17 Si2 O42 111.2(15) . . ?
O17 Si2 O22 109.8(15) . 1_545 ?
O42 Si2 O22 107.8(15) . 1_545 ?
O17 Si2 O33 111.5(16) . . ?
O42 Si2 O33 109.3(15) . . ?
O22 Si2 O33 107.1(14) 1_545 . ?
O17 Si2 Na11 39.8(17) . 2_545 ?
O42 Si2 Na11 146.0(17) . 2_545 ?
O22 Si2 Na11 77.7(15) 1_545 2_545 ?
O33 Si2 Na11 100.4(16) . 2_545 ?
O12 Si3 O43 113.6(16) . . ?
O12 Si3 O22 112.3(17) . . ?
O43 Si3 O22 105.8(15) . . ?
O12 Si3 O31 110.5(17) . . ?
O43 Si3 O31 107.4(16) . . ?
O22 Si3 O31 106.7(15) . . ?
O12 Si3 Na2A 132(3) . 2_656 ?
O43 Si3 Na2A 35(3) . 2_656 ?
O22 Si3 Na2A 112(3) . 2_656 ?
O31 Si3 Na2A 73(3) . 2_656 ?
O23 Si4 O11 112.9(16) . . ?
O23 Si4 O32 109.1(15) . 1_554 ?
O11 Si4 O32 110.5(15) . 1_554 ?
O23 Si4 O43 106.0(14) . . ?
O11 Si4 O43 108.2(15) . . ?
O32 Si4 O43 110.1(14) 1_554 . ?
O23 Si4 Na2A 66(3) . 2_656 ?
O11 Si4 Na2A 142(3) . 2_656 ?
O32 Si4 Na2A 104(3) 1_554 2_656 ?
O43 Si4 Na2A 45(3) . 2_656 ?
O23 Si4 Na22 66(2) . 2_656 ?
O11 Si4 Na22 152(2) . 2_656 ?
O32 Si4 Na22 95.2(19) 1_554 2_656 ?
O43 Si4 Na22 50(2) . 2_656 ?
Na2A Si4 Na22 10(3) 2_656 2_656 ?
O23 Si4 Na11 83.1(15) . . ?
O11 Si4 Na11 41.7(18) . . ?
O32 Si4 Na11 95.5(17) 1_554 . ?
O43 Si4 Na11 147(2) . . ?
Na2A Si4 Na11 147(3) 2_656 . ?
Na22 Si4 Na11 149.1(18) 2_656 . ?
O21 Si5 O13 114.3(17) . . ?
O21 Si5 O44 106.2(15) . . ?
O13 Si5 O44 108.5(16) . . ?
O21 Si5 O31 109.9(15) . . ?
O13 Si5 O31 109.8(16) . . ?
O44 Si5 O31 107.9(14) . . ?
O21 Si5 Na21 61.6(14) . 2_556 ?
O13 Si5 Na21 150.5(19) . 2_556 ?
O44 Si5 Na21 52.1(15) . 2_556 ?
O31 Si5 Na21 98.3(17) . 2_556 ?
O21 Si5 Na2A 148(3) . 2_656 ?
O13 Si5 Na2A 44(3) . 2_656 ?
O44 Si5 Na2A 104(3) . 2_656 ?
O31 Si5 Na2A 70(3) . 2_656 ?
Na21 Si5 Na2A 150(3) 2_556 2_656 ?
O21 Si5 Na12 84.7(16) . 1_565 ?
O13 Si5 Na12 40.9(17) . 1_565 ?
O44 Si5 Na12 147.3(19) . 1_565 ?
O31 Si5 Na12 96.5(17) . 1_565 ?
Na21 Si5 Na12 146.1(12) 2_556 1_565 ?
Na2A Si5 Na12 64(3) 2_656 1_565 ?
O14 Si6 O24 112.0(16) . . ?
O14 Si6 O44 111.2(16) . . ?
O24 Si6 O44 106.7(14) . . ?
O14 Si6 O32 111.0(16) . . ?
O24 Si6 O32 108.5(14) . . ?
O44 Si6 O32 107.2(14) . . ?
O14 Si6 Na12 35.0(17) . 2_656 ?
O24 Si6 Na12 81.9(15) . 2_656 ?
O44 Si6 Na12 140.2(17) . 2_656 ?
O32 Si6 Na12 106.5(16) . 2_656 ?
O16 Si7 O41 111.0(16) . . ?
O16 Si7 O21 111.1(16) . 1_545 ?
O41 Si7 O21 106.1(14) . 1_545 ?
O16 Si7 O33 109.9(15) . . ?
O41 Si7 O33 110.3(14) . . ?
O21 Si7 O33 108.4(14) 1_545 . ?
O16 Si7 Na12 36.9(17) . . ?
O41 Si7 Na12 144.9(18) . . ?
O21 Si7 Na12 83.4(15) 1_545 . ?
O33 Si7 Na12 97.8(16) . . ?
O15 Si8 O41 113.0(16) . . ?
O15 Si8 O24 110.9(16) . . ?
O41 Si8 O24 107.0(15) . . ?
O15 Si8 O34 111.1(16) . 1_556 ?
O41 Si8 O34 109.0(15) . 1_556 ?
O24 Si8 O34 105.5(14) . 1_556 ?
O18 Na11 O11 85(2) . . ?
O18 Na11 O17 122(3) . 2 ?
O11 Na11 O17 62.0(17) . 2 ?
O18 Na11 O12 67.1(16) . 2_545 ?
O11 Na11 O12 126(3) . 2_545 ?
O17 Na11 O12 94(2) 2 2_545 ?
O18 Na11 O24 81.7(19) . 1_554 ?
O11 Na11 O24 85(2) . 1_554 ?
O17 Na11 O24 134.6(18) 2 1_554 ?
O12 Na11 O24 131.8(17) 2_545 1_554 ?
O18 Na11 V1 89(2) . . ?
O11 Na11 V1 34.7(12) . . ?
O17 Na11 V1 37.2(13) 2 . ?
O12 Na11 V1 96.4(19) 2_545 . ?
O24 Na11 V1 119.5(18) 1_554 . ?
O18 Na11 Si4 72.3(18) . . ?
O11 Na11 Si4 26.6(9) . . ?
O17 Na11 Si4 88.3(15) 2 . ?
O12 Na11 Si4 133(2) 2_545 . ?
O24 Na11 Si4 60.6(14) 1_554 . ?
V1 Na11 Si4 59.6(10) . . ?
O18 Na11 Si1 24.6(10) . . ?
O11 Na11 Si1 73.4(17) . . ?
O17 Na11 Si1 128(2) 2 . ?
O12 Na11 Si1 91.3(15) 2_545 . ?
O24 Na11 Si1 59.8(13) 1_554 . ?
V1 Na11 Si1 90.7(15) . . ?
Si4 Na11 Si1 53.3(10) . . ?
O18 Na11 Si2 125(2) . 2 ?
O11 Na11 Si2 86.8(16) . 2 ?
O17 Na11 Si2 25.2(9) 2 2 ?
O12 Na11 Si2 74.5(15) 2_545 2 ?
O24 Na11 Si2 151.1(17) 1_554 2 ?
V1 Na11 Si2 57.7(10) . 2 ?
Si4 Na11 Si2 113.3(13) . 2 ?
Si1 Na11 Si2 142.4(18) . 2 ?
O18 Na11 V1 32.0(12) . 2_545 ?
O11 Na11 V1 105(2) . 2_545 ?
O17 Na11 V1 109.7(19) 2 2_545 ?
O12 Na11 V1 35.2(11) 2_545 2_545 ?
O24 Na11 V1 108.3(15) 1_554 2_545 ?
V1 Na11 V1 91.0(14) . 2_545 ?
Si4 Na11 V1 101.0(14) . 2_545 ?
Si1 Na11 V1 56.5(9) . 2_545 ?
Si2 Na11 V1 100.6(14) 2 2_545 ?
O18 Na11 Na21 133(2) . 2 ?
O11 Na11 Na21 48.6(14) . 2 ?
O17 Na11 Na21 47.2(13) 2 2 ?
O12 Na11 Na21 140(2) 2_545 2 ?
O24 Na11 Na21 87.8(17) 1_554 2 ?
V1 Na11 Na21 57.8(11) . 2 ?
Si4 Na11 Na21 63.1(12) . 2 ?
Si1 Na11 Na21 116.3(18) . 2 ?
Si2 Na11 Na21 66.2(13) 2 2 ?
V1 Na11 Na21 149(2) 2_545 2 ?
O14 Na12 O16 68.4(18) 2_646 . ?
O14 Na12 O13 125(3) 2_646 1_545 ?
O16 Na12 O13 87(2) . 1_545 ?
O14 Na12 O15 92(2) 2_646 2_646 ?
O16 Na12 O15 127(3) . 2_646 ?
O13 Na12 O15 64.5(16) 1_545 2_646 ?
O14 Na12 O22 138.1(19) 2_646 1_545 ?
O16 Na12 O22 82(2) . 1_545 ?
O13 Na12 O22 80.4(19) 1_545 1_545 ?
O15 Na12 O22 130.3(17) 2_646 1_545 ?
O14 Na12 V2A 41.4(15) 2_646 . ?
O16 Na12 V2A 37.0(14) . . ?
O13 Na12 V2A 90(2) 1_545 . ?
O15 Na12 V2A 96.2(19) 2_646 . ?
O22 Na12 V2A 118.8(19) 1_545 . ?
O14 Na12 V2 35.9(14) 2_646 . ?
O16 Na12 V2 32.9(13) . . ?
O13 Na12 V2 104(2) 1_545 . ?
O15 Na12 V2 109.9(19) 2_646 . ?
O22 Na12 V2 112.2(17) 1_545 . ?
V2A Na12 V2 16.6(7) . . ?
O14 Na12 V2 95.3(19) 2_646 2_646 ?
O16 Na12 V2 94(2) . 2_646 ?
O13 Na12 V2 35.8(13) 1_545 2_646 ?
O15 Na12 V2 37.8(14) 2_646 2_646 ?
O22 Na12 V2 116.1(17) 1_545 2_646 ?
V2A Na12 V2 74.9(13) . 2_646 ?
V2 Na12 V2 91.4(12) . 2_646 ?
O14 Na12 Si7 92.9(17) 2_646 . ?
O16 Na12 Si7 24.5(10) . . ?
O13 Na12 Si7 72.1(18) 1_545 . ?
O15 Na12 Si7 130(2) 2_646 . ?
O22 Na12 Si7 60.9(13) 1_545 . ?
V2A Na12 Si7 58.6(11) . . ?
V2 Na12 Si7 57.4(11) . . ?
V2 Na12 Si7 91.9(14) 2_646 . ?
O14 Na12 Si5 131(2) 2_646 1_545 ?
O16 Na12 Si5 72.4(18) . 1_545 ?
O13 Na12 Si5 24.6(10) 1_545 1_545 ?
O15 Na12 Si5 88.9(15) 2_646 1_545 ?
O22 Na12 Si5 59.5(13) 1_545 1_545 ?
V2A Na12 Si5 89.7(15) . 1_545 ?
V2 Na12 Si5 99.0(15) . 1_545 ?
V2 Na12 Si5 58.6(10) 2_646 1_545 ?
Si7 Na12 Si5 52.2(10) . 1_545 ?
O14 Na12 Si6 23.8(10) 2_646 2_646 ?
O16 Na12 Si6 91.8(17) . 2_646 ?
O13 Na12 Si6 125(2) 1_545 2_646 ?
O15 Na12 Si6 73.4(15) 2_646 2_646 ?
O22 Na12 Si6 153.6(16) 1_545 2_646 ?
V2A Na12 Si6 60.6(12) . 2_646 ?
V2 Na12 Si6 58.9(10) . 2_646 ?
V2 Na12 Si6 89.7(14) 2_646 2_646 ?
Si7 Na12 Si6 116.3(14) . 2_646 ?
Si5 Na12 Si6 142.4(17) 1_545 2_646 ?
O14 Na12 V2A 108(2) 2_646 2_646 ?
O16 Na12 V2A 107(2) . 2_646 ?
O13 Na12 V2A 32.7(12) 1_545 2_646 ?
O15 Na12 V2A 32.0(13) 2_646 2_646 ?
O22 Na12 V2A 108.3(16) 1_545 2_646 ?
V2A Na12 V2A 91.2(12) . 2_646 ?
V2 Na12 V2A 107.7(15) . 2_646 ?
V2 Na12 V2A 16.3(7) 2_646 2_646 ?
Si7 Na12 V2A 100.5(15) . 2_646 ?
Si5 Na12 V2A 57.3(10) 1_545 2_646 ?
Si6 Na12 V2A 98.1(14) 2_646 2_646 ?
OV1 Na21 O44 149(3) . 2_546 ?
OV1 Na21 O17 103(3) . . ?
O44 Na21 O17 104.3(17) 2_546 . ?
OV1 Na21 O11 101(2) . 2_545 ?
O44 Na21 O11 82.8(18) 2_546 2_545 ?
O17 Na21 O11 55.7(15) . 2_545 ?
OV1 Na21 O21 106.0(18) . 2_546 ?
O44 Na21 O21 55.8(15) 2_546 2_546 ?
O17 Na21 O21 144(2) . 2_546 ?
O11 Na21 O21 135(2) 2_545 2_546 ?
OV1 Na21 Si5 135(2) . 2_546 ?
O44 Na21 Si5 29.7(9) 2_546 2_546 ?
O17 Na21 Si5 120.3(18) . 2_546 ?
O11 Na21 Si5 112.5(18) 2_545 2_546 ?
O21 Na21 Si5 29.0(8) 2_546 2_546 ?
OV1 Na21 V1 83(2) . 2_545 ?
O44 Na21 V1 113.0(15) 2_546 2_545 ?
O17 Na21 V1 35.8(12) . 2_545 ?
O11 Na21 V1 33.5(10) 2_545 2_545 ?
O21 Na21 V1 168.4(19) 2_546 2_545 ?
Si5 Na21 V1 141.0(13) 2_546 2_545 ?
OV1 Na21 Na11 137(3) . 2_545 ?
O44 Na21 Na11 63.6(14) 2_546 2_545 ?
O17 Na21 Na11 42.3(14) . 2_545 ?
O11 Na21 Na11 42.3(13) 2_545 2_545 ?
O21 Na21 Na11 116.2(19) 2_546 2_545 ?
Si5 Na21 Na11 87.2(14) 2_546 2_545 ?
V1 Na21 Na11 54.8(12) 2_545 2_545 ?
Na2A Na22 OV2A 127(10) . . ?
Na2A Na22 V2A 88(10) . . ?
OV2A Na22 V2A 44(6) . . ?
Na2A Na22 O43 58(10) . 2_646 ?
OV2A Na22 O43 155(10) . 2_646 ?
V2A Na22 O43 121(4) . 2_646 ?
Na2A Na22 O15 122(10) . . ?
OV2A Na22 O15 43(9) . . ?
V2A Na22 O15 45(2) . . ?
O43 Na22 O15 111(4) 2_646 . ?
Na2A Na22 OV2 82(10) . 2_646 ?
OV2A Na22 OV2 58(10) . 2_646 ?
V2A Na22 OV2 60(3) . 2_646 ?
O43 Na22 OV2 140(4) 2_646 2_646 ?
O15 Na22 OV2 95(4) . 2_646 ?
Na2A Na22 O13 60(10) . 2_646 ?
OV2A Na22 O13 85(8) . 2_646 ?
V2A Na22 O13 44(2) . 2_646 ?
O43 Na22 O13 78(3) 2_646 2_646 ?
O15 Na22 O13 62(3) . 2_646 ?
OV2 Na22 O13 90(4) 2_646 2_646 ?
Na2A Na22 O23 78(10) . 2_646 ?
OV2A Na22 O23 143(9) . 2_646 ?
V2A Na22 O23 163(4) . 2_646 ?
O43 Na22 O23 59(2) 2_646 2_646 ?
O15 Na22 O23 152(3) . 2_646 ?
OV2 Na22 O23 108(4) 2_646 2_646 ?
O13 Na22 O23 131(4) 2_646 2_646 ?
Na2A Na22 Si4 77(10) . 2_646 ?
OV2A Na22 Si4 156(8) . 2_646 ?
V2A Na22 Si4 153(4) . 2_646 ?
O43 Na22 Si4 32.0(15) 2_646 2_646 ?
O15 Na22 Si4 127(3) . 2_646 ?
OV2 Na22 Si4 138(4) 2_646 2_646 ?
O13 Na22 Si4 110(3) 2_646 2_646 ?
O23 Na22 Si4 31.4(12) 2_646 2_646 ?
Na2A Na22 V2 89(10) . . ?
OV2A Na22 V2 48(7) . . ?
V2A Na22 V2 8.6(11) . . ?
O43 Na22 V2 114(3) 2_646 . ?
O15 Na22 V2 39.9(19) . . ?
OV2 Na22 V2 68(3) 2_646 . ?
O13 Na22 V2 38.0(17) 2_646 . ?
O23 Na22 V2 167(3) 2_646 . ?
Si4 Na22 V2 146(3) 2_646 . ?
Na2A Na22 Na12 91(10) . 2_656 ?
OV2A Na22 Na12 89(10) . 2_656 ?
V2A Na22 Na12 68(3) . 2_656 ?
O43 Na22 Na12 66(2) 2_646 2_656 ?
O15 Na22 Na12 46.4(18) . 2_656 ?
OV2 Na22 Na12 127(4) 2_646 2_656 ?
O13 Na22 Na12 43.9(19) 2_646 2_656 ?
O23 Na22 Na12 121(3) 2_646 2_656 ?
Si4 Na22 Na12 90(2) 2_646 2_656 ?
V2 Na22 Na12 59.6(19) . 2_656 ?
Na22 Na2A OV2A 38(10) . . ?
Na22 Na2A O43 110(10) . 2_646 ?
OV2A Na2A O43 140(10) . 2_646 ?
Na22 Na2A V2A 79(10) . . ?
OV2A Na2A V2A 45(5) . . ?
O43 Na2A V2A 130(6) 2_646 . ?
Na22 Na2A O13 109(10) . 2_646 ?
OV2A Na2A O13 87(7) . 2_646 ?
O43 Na2A O13 87(5) 2_646 2_646 ?
V2A Na2A O13 46(3) . 2_646 ?
Na22 Na2A OV2 86(10) . 2_646 ?
OV2A Na2A OV2 58(8) . 2_646 ?
O43 Na2A OV2 162(7) 2_646 2_646 ?
V2A Na2A OV2 59(4) . 2_646 ?
O13 Na2A OV2 96(6) 2_646 2_646 ?
Na22 Na2A O15 49(10) . . ?
OV2A Na2A O15 37(6) . . ?
O43 Na2A O15 108(6) 2_646 . ?
V2A Na2A O15 41(3) . . ?
O13 Na2A O15 60(4) 2_646 . ?
OV2 Na2A O15 88(5) 2_646 . ?
Na22 Na2A O23 91(10) . 2_646 ?
OV2A Na2A O23 123(8) . 2_646 ?
O43 Na2A O23 62(4) 2_646 2_646 ?
V2A Na2A O23 166(6) . 2_646 ?
O13 Na2A O23 148(6) 2_646 2_646 ?
OV2 Na2A O23 111(5) 2_646 2_646 ?
O15 Na2A O23 136(6) . 2_646 ?
Na22 Na2A Si4 94(10) . 2_646 ?
OV2A Na2A Si4 131(9) . 2_646 ?
O43 Na2A Si4 32(3) 2_646 2_646 ?
V2A Na2A Si4 156(6) . 2_646 ?
O13 Na2A Si4 119(5) 2_646 2_646 ?
OV2 Na2A Si4 143(6) 2_646 2_646 ?
O15 Na2A Si4 119(6) . 2_646 ?
O23 Na2A Si4 32.2(19) 2_646 2_646 ?
Na22 Na2A V2 82(10) . . ?
OV2A Na2A V2 51(5) . . ?
O43 Na2A V2 121(5) 2_646 . ?
V2A Na2A V2 9.1(14) . . ?
O13 Na2A V2 38(2) 2_646 . ?
OV2 Na2A V2 68(4) 2_646 . ?
O15 Na2A V2 39(2) . . ?
O23 Na2A V2 173(5) 2_646 . ?
Si4 Na2A V2 149(5) 2_646 . ?
Na22 Na2A Si5 134(10) . 2_646 ?
OV2A Na2A Si5 111(7) . 2_646 ?
O43 Na2A Si5 74(4) 2_646 2_646 ?
V2A Na2A Si5 67(4) . 2_646 ?
O13 Na2A Si5 25.7(16) 2_646 2_646 ?
OV2 Na2A Si5 100(6) 2_646 2_646 ?
O15 Na2A Si5 86(4) . 2_646 ?
O23 Na2A Si5 126(5) 2_646 2_646 ?
Si4 Na2A Si5 105(4) 2_646 2_646 ?
V2 Na2A Si5 60(3) . 2_646 ?
Na22 Na2A Si3 130(10) . 2_646 ?
OV2A Na2A Si3 146(9) . 2_646 ?
O43 Na2A Si3 24.5(18) 2_646 2_646 ?
V2A Na2A Si3 114(5) . 2_646 ?
O13 Na2A Si3 68(3) 2_646 2_646 ?
OV2 Na2A Si3 143(6) 2_646 2_646 ?
O15 Na2A Si3 109(4) . 2_646 ?
O23 Na2A Si3 80(4) 2_646 2_646 ?
Si4 Na2A Si3 55(3) 2_646 2_646 ?
V2 Na2A Si3 105(4) . 2_646 ?
Si5 Na2A Si3 51(2) 2_646 2_646 ?
Si4 O11 V1 142(3) . . ?
Si4 O11 Na11 112(2) . . ?
V1 O11 Na11 96(2) . . ?
Si4 O11 Na21 113(2) . 2 ?
V1 O11 Na21 91.4(19) . 2 ?
Na11 O11 Na21 89.1(17) . 2 ?
Si3 O12 V1 139(3) . . ?
Si3 O12 Na11 116(2) . 2 ?
V1 O12 Na11 98(2) . 2 ?
Si5 O13 V2A 142(3) . 2_656 ?
Si5 O13 V2 138(3) . 2_656 ?
V2A O13 V2 28.7(14) 2_656 2_656 ?
Si5 O13 Na2A 111(4) . 2_656 ?
V2A O13 Na2A 64(4) 2_656 2_656 ?
V2 O13 Na2A 92(4) 2_656 2_656 ?
Si5 O13 Na12 115(2) . 1_565 ?
V2A O13 Na12 103(2) 2_656 1_565 ?
V2 O13 Na12 98(2) 2_656 1_565 ?
Na2A O13 Na12 93(4) 2_656 1_565 ?
Si5 O13 Na22 121(3) . 2_656 ?
V2A O13 Na22 58(3) 2_656 2_656 ?
V2 O13 Na22 85(3) 2_656 2_656 ?
Na2A O13 Na22 11(4) 2_656 2_656 ?
Na12 O13 Na22 86(2) 1_565 2_656 ?
Si6 O14 V2 134(3) . 2_656 ?
Si6 O14 V2A 126(2) . 2_656 ?
V2 O14 V2A 25.9(12) 2_656 2_656 ?
Si6 O14 Na12 121(2) . 2_656 ?
V2 O14 Na12 102(2) 2_656 2_656 ?
V2A O14 Na12 95(2) 2_656 2_656 ?
Si8 O15 OV2A 113(7) . . ?
Si8 O15 V2A 137(3) . . ?
OV2A O15 V2A 55(4) . . ?
Si8 O15 V2 128(2) . . ?
OV2A O15 V2 82(4) . . ?
V2A O15 V2 28.0(15) . . ?
Si8 O15 Na22 128(3) . . ?
OV2A O15 Na22 29(7) . . ?
V2A O15 Na22 63(3) . . ?
V2 O15 Na22 90(2) . . ?
Si8 O15 Na12 118(2) . 2_656 ?
OV2A O15 Na12 117(8) . 2_656 ?
V2A O15 Na12 101(2) . 2_656 ?
V2 O15 Na12 93(2) . 2_656 ?
Na22 O15 Na12 89(3) . 2_656 ?
Si8 O15 Na2A 138(4) . . ?
OV2A O15 Na2A 33(8) . . ?
V2A O15 Na2A 57(4) . . ?
V2 O15 Na2A 82(4) . . ?
Na22 O15 Na2A 9(4) . . ?
Na12 O15 Na2A 84(3) 2_656 . ?
Si7 O16 V2 136(3) . . ?
Si7 O16 V2A 130(3) . . ?
V2 O16 V2A 28.3(13) . . ?
Si7 O16 Na12 119(2) . . ?
V2 O16 Na12 105(2) . . ?
V2A O16 Na12 99(2) . . ?
Si2 O17 V1 129(3) . 2_545 ?
Si2 O17 Na11 115(2) . 2_545 ?
V1 O17 Na11 93(2) 2_545 2_545 ?
Si2 O17 Na21 128(2) . . ?
V1 O17 Na21 90.9(19) 2_545 . ?
Na11 O17 Na21 90.5(16) 2_545 . ?
Si1 O18 V1 132(2) . 2_545 ?
Si1 O18 Na11 118(2) . . ?
V1 O18 Na11 109(2) 2_545 . ?
Si5 O21 Si7 140(2) . 1_565 ?
Si5 O21 Na21 89.4(16) . 2_556 ?
Si7 O21 Na21 131.0(18) 1_565 2_556 ?
Si3 O22 Si2 152(2) . 1_565 ?
Si3 O22 Na12 105.3(17) . 1_565 ?
Si2 O22 Na12 100.9(17) 1_565 1_565 ?
Si4 O23 Si1 140(2) . . ?
Si4 O23 Na2A 82(3) . 2_656 ?
Si1 O23 Na2A 135(4) . 2_656 ?
Si4 O23 Na22 83(2) . 2_656 ?
Si1 O23 Na22 137(2) . 2_656 ?
Na2A O23 Na22 11(4) 2_656 2_656 ?
Si8 O24 Si6 148(2) . . ?
Si8 O24 Na11 106.0(17) . 1_556 ?
Si6 O24 Na11 106.1(17) . 1_556 ?
Si3 O31 Si5 126(2) . . ?
Si4 O32 Si6 122(2) 1_556 . ?
Si7 O33 Si2 121(2) . . ?
Si8 O34 Si1 123(2) 1_554 . ?
Si8 O41 Si7 130(2) . . ?
Si1 O42 Si2 128(2) . . ?
Si3 O43 Si4 127(2) . . ?
Si3 O43 Na2A 121(4) . 2_656 ?
Si4 O43 Na2A 103(4) . 2_656 ?
Si3 O43 Na22 130(3) . 2_656 ?
Si4 O43 Na22 98(3) . 2_656 ?
Na2A O43 Na22 12(5) 2_656 2_656 ?
Si5 O44 Si6 133(2) . . ?
Si5 O44 Na21 98.2(18) . 2_556 ?
Si6 O44 Na21 119.0(19) . 2_556 ?
V1 OV1 Na21 172(3) . . ?
V2 OV2 Na2A 143(7) . 2_656 ?
V2 OV2 Na22 143(7) . 2_656 ?
Na2A OV2 Na22 12(4) 2_656 2_656 ?
Na22 OV2A Na2A 15(9) . . ?
Na22 OV2A V2A 105(10) . . ?
Na2A OV2A V2A 92(10) . . ?
Na22 OV2A O15 108(10) . . ?
Na2A OV2A O15 110(10) . . ?
V2A OV2A O15 65(5) . . ?
 
_refine_diff_density_max    1.020
_refine_diff_density_min   -1.018
_refine_diff_density_rms    0.206




