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###           Electronic papers (Acta Crystallographica Section C)         ###
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# criteria for publication in Acta Crystallographica Section C.              #
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# in _publ_section_comments is the responsibility of the authors.            #
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# Acta Crystallographica Section C within two months of acceptance and are   #
# available by email and via the online contents pages for that issue.       #
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data_global
_audit_creation_method     'by teXsan v1.7'
_journal_data_validation_number     IUC0000096
_journal_date_recd_electronic     2000-03-27
_journal_date_accepted     2000-04-05
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2000
_journal_volume     56
_journal_issue      5
_journal_page_first     e170
_journal_page_last     e171
_journal_paper_category     CI
_publ_contact_author_name     'Dr Timothy J. R. Weakley'
_publ_contact_author_address
;
Department of Chemistry
University of Oregon
Eugene
OR 97403-1253
USA
;
_publ_contact_author_email     tweakley@oregon.uoregon.edu
_publ_contact_author_fax     '01(541)3464643'
_publ_contact_author_phone     '01(541)3464620'
_publ_section_title
;
Disodium chromium(III) hexamolybdoiodate(VII) 24-hydrate,
CrNa₂[IMo₆O₂₄].24H₂O.
;
loop_
    _publ_author_name
    _publ_author_address
    'Rosu, Cristina'
;
Department of Inorganic Chemistry
Babes-Bolyai University
RO-3400 Cluj-Napoca
Romania
;
    'Weakley, Timothy J. R.'
;Department of Chemistry
University of Oregon
Eugene
OR 97403-1253
USA
;
_publ_section_synopsis
;
The anion has the I atom on an inversion centre and exhibits
non-crystallographic symmetry close to \=3m. The cations are bonded
exclusively to water ligands, in contrast to the situation in the
disodium cobalt(II) salt [Rosu & Dickman (1999), Acta Cryst, C55,
11-13].
;
_publ_section_abstract
;
The compound can be formulated as
[Cr(H₂O)₆][Na₂(H₂O)₁₀][IMo6O24].8H₂O. The anion has the I
atom on an inversion centre and has close to \=3m symmetry, with I---O
bond lengths in the range 1.881--1.890(2)Å and Mo---O bond
lengths in the ranges 1.697(3)--1.714(3), 1.915(2)--1.948(2) and
2.317(2)--2.357(2)Å.
;
_publ_section_comment
;
This work forms part of an investigation into the interaction of
transition metal cations and polyoxometalate anions.  The
IMo₆O₂₄⁵⁻ anion lies on a crystal inversion centre, in an
orientation such that the cell is pseudo-body-centered.  Its
non-crystallographic symmetry is close to \=3m and its dimensions are very
similar to those of the anion in CoNa₃[IMo₆O₂₄].14H₂O (Rosu &
Dickman, 1999) and in K₅[IMo₆O₂₄].5H₂O (Kondo et al., 1980).
The Mo atoms are coplanar to within 0.007(1)Å, whereas
in CoNa₃[IMo₆O₂₄].14H₂O, the Co²⁺ and Na⁺ cations are
coordinated to the anion, the Na⁺ ions in the present structure are
present in discrete, centrosymmetric [Na₂(H₂O)₁₀]²⁺ units, and
despite the preparation at 373 K, O atoms of anions have not
replaced water in the kinetically inert [Cr(H₂O)₆]³⁺ groups.
;
_publ_section_references
;
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A.,
Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.
Enraf-Nonius (1993).  CAD-4/PC Diffractometer Software. Version 1.2.
Enraf-Nonius, Delft, The Netherlands
Kondo, H., Kobayashi, A. & Sasaki, Y. (1980).  Acta Cryst. B36,
661-664.
Molecular Structure Corporation (1997). TEXSAN. Version 1.7.  MSC,
3200 Research Forest Drive, The Woodlands, TX 77381, USA.
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968).
Acta Cryst. A24, 351-359.
Rosu, C. & Dickman, M. H. (1999).  Acta Cryst, C55, 11-13.
Zachariasen, W. H. (1967). Acta Cryst. 23, 558-564.
;
_publ_section_exptl_prep
;
The pH of a slurry containing 15 g Na₅[IMo₆O₂₄].16.5H₂O (Rosu &
Dickman, 1999) and 4 g Cr(NO₃)₃.9H₂O in 100 ml water was adjusted
to 6. The mixture was heated to reflux for 30 min and filtered while
hot. The filtrate was allowed to evaporate at room temperature for 3 d
to give 11.7 g of violet crystals.  Found (calculated) for
CrNa₂[IMo₆O₂₄].24H₂O: Na 2.8 (2.8), Cr 3.2 (3.2), Mo 35.5
(35.6), H₂O 26.7% (26.7%). The crystal used for data collection
was glued to a glass fibre.
;
_publ_section_exptl_refinement
;
The intensity data were corrected for absorption (azimuthal scans).
Structure solution used an SIR92 E map (Altomare et al., 1994).  Alternative
positions were found for the three independent water molecules bonded
to Cr, and for two non-coordinated waters. Atoms other than minor-occupancy
water molecules were refined anisotropically.  H
atoms of water molecules could not be located with confidence and no
attempt was made to model them.  The value of a secondary extinction
parameter was refined.
;
data_I
_chemical_formula_moiety     'Cr 3+, (Na 1+)2, (I Mo6 O24 5-), 24(H2 O) '
_chemical_formula_sum     'Cr H48 I Mo6 Na2 O48 '
_chemical_formula_iupac     'Cr Na2  [IMo6 O24], 24H2 O'
_chemical_formula_weight     1616.87
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     ?
loop_
    _symmetry_equiv_pos_as_xyz
    '   +x,   +y,   +z'
    '1/2-x,1/2+y,1/2-z'
    '   -x,   -y,   -z'
    '1/2+x,1/2-y,1/2+z'
_cell_length_a     10.3829(7)
_cell_length_b     14.0871(12)
_cell_length_c     14.9994(14)
_cell_angle_alpha     90
_cell_angle_beta     102.931(9)
_cell_angle_gamma     90
_cell_volume     2138.2(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     14.0
_cell_measurement_theta_max     14.9
_cell_measurement_temperature     295
_exptl_crystal_description     'block'
_exptl_crystal_colour     'violet'
_exptl_crystal_size_max      .29
_exptl_crystal_size_mid      .23
_exptl_crystal_size_min      .18
_exptl_crystal_density_diffrn     2.511
_exptl_crystal_density_meas     'not measured'
_exptl_crystal_F_000     1566.00
_exptl_absorpt_coefficient_mu     2.82
_exptl_absorpt_correction_type     '\y scan'
_exptl_absorpt_process_details     '(North et al., 1968)'
_exptl_absorpt_correction_T_min      .480
_exptl_absorpt_correction_T_max      .545
_exptl_special_details
;
The preliminary cell determination indicated a C-centered monoclinic
cell with a, b and c equal to 16.217, 14.087, 10.383Å, and β
equal to 115.65Å, and data were originally collected on this basis
in the +-h,+k,+l quadrant.
Subsequently it was realised that the C-centering was false and the
missing data were collected from the same crystal but, through an
oversight, in the +h,+k,+-l quadrant.  The cell was transformed
after data reduction to the present (P2₁/n) one.  As a result, some
independent reflections in the structure factor list have positive h
and some have negative h.
;
_diffrn_ambient_temperature     295
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength      .71073
_diffrn_radiation_source     'sealed X-ray tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enraf-Nonius CAD-4 diffractometer'
_diffrn_measurement_method     ω-2θ
_diffrn_reflns_number     6570
_diffrn_reflns_av_R_equivalents      .011
_diffrn_reflns_av_sigmaI/netI      .050
_diffrn_reflns_theta_min     2.0
_diffrn_reflns_theta_max     30.0
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     19
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     21
_diffrn_reflns_reduction_process     'Lp corrections applied'
_diffrn_standards_number     3
_diffrn_standards_interval_count     300
_diffrn_standards_decay_%      .00
loop_
    _diffrn_standard_refln_index_h
    _diffrn_standard_refln_index_k
    _diffrn_standard_refln_index_l
    0 9 5
    0 -9 -5
    0 10 0
_reflns_number_total     6210
_reflns_number_gt     4697
_reflns_threshold_expression     I>σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .046
_refine_ls_R_factor_gt      .034
_refine_ls_wR_factor_all      .095
_refine_ls_wR_factor_ref      .050
_refine_ls_goodness_of_fit_all     1.86
_refine_ls_goodness_of_fit_ref     1.86
_refine_ls_number_reflns     6210
_refine_ls_number_parameters     276
_refine_ls_number_restraints     0
_refine_ls_number_constraints     0
_refine_ls_hydrogen_treatment     undef
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details     'w = 4Fₒ²/[σ²(I) + (0.020I)²]'
_refine_ls_shift/su_max      .022
_refine_ls_shift/su_mean      .002
_refine_diff_density_max     '1.21 (1.07 \%A from I)'
_refine_diff_density_min     '-1.11 (0.79 \%A from Mo1)'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_extinction_coef     5.5E-7(2)
_refine_ls_abs_structure_details     'not applicable'
loop_
    _atom_type_symbol
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    Cr  .284  .624
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
    H  .000  .000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
    I  -.726 1.812
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
    Mo -1.825  .688
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
    Na  .030  .025
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
    O  .008  .006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
_computing_data_collection
                         'CAD-4/PC Diffractometer Software (Enraf-Nonius, 1993)'
_computing_cell_refinement     'CAD-4/PC Diffractometer Software'
_computing_data_reduction     'TEXSAN (Molecular Structure Corporation, 1997)'
_computing_structure_solution     'TEXSAN'
_computing_structure_refinement     'TEXSAN'
_computing_publication_material     'TEXSAN'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_calc_attached_atom
    _atom_site_refinement_flags
    _atom_site_occupancy
    I  .5000  .5000  .5000  .01617(6) Uani d ? S 1.000
    Mo1  .39295(3)  .37860(2)    .308259(19)  .02484(8) Uani d ? . 1.000
    Mo2  .49649(3)  .26577(2)    .50429(2)    .02550(8) Uani d ? . 1.000
    Mo3  .60153(3)  .38491(2)    .696128(19)  .02436(8) Uani d ? . 1.000
    Cr  .0000  .0000  .5000  .02341(18) Uani d ? S 1.000
    Na  -.00217(14)  .37363(11)  .49923(10)  .0379(4) Uani d ? . 1.000
    O1  .3492(2)  .49931(14)  .40221(15)  .0207(5) Uani d ? . 1.000
    O2  .5653(2)  .40086(15)  .43816(14)  .0206(5) Uani d ? . 1.000
    O3  .4314(2)  .40580(16)  .56525(14)  .0208(5) Uani d ? . 1.000
    O4  .2401(3)  .3805(2)    .23744(19)  .0435(8) Uani d ? . 1.000
    O5  .3534(2)  .30167(16)  .40399(16)  .0280(6) Uani d ? . 1.000
    O6  .4881(3)  .30240(19)  .26157(18)  .0379(8) Uani d ? . 1.000
    O7  .4652(3)  .49536(15)  .26970(16)  .0277(6) Uani d ? . 1.000
    O8  .4081(3)  .1970(2)    .5615(2)    .0440(8) Uani d ? . 1.000
    O9  .5840(3)  .19116(19)  .45142(19)  .0430(8) Uani d ? . 1.000
    O10  .6404(2)  .30282(16)  .60310(15)  .0272(6) Uani d ? . 1.000
    O11  .5028(3)  .31276(19)  .74427(18)  .0378(8) Uani d ? . 1.000
    O12  .7537(3)  .3846(2)    .76716(19)  .0412(8) Uani d ? . 1.000
    O13  .0650(3)  .0421(2)  .62724(18)  .0330(8) Uani d ? .  .880
    O13A  -.059(3)  .042(2)  .3752(19)  .058(7) Uiso d ? .  .120
    O14  -.1173(3)  .1113(2)    .4748(2)  .0345(8) Uani d ? .  .880
    O14A  .123(4)  .101(2)  .504(2)  .069(9) Uiso d ? .  .120
    O15  .1429(3)  .0725(2)  .4648(2)  .0332(8) Uani d ? .  .880
    O15A  -.139(3)  .080(2)  .525(2)  .058(7) Uiso d ? .  .120
    O16  .1898(4)  .3879(3)  .6194(3)  .0792(14) Uani d ? . 1.000
    O17  .0825(3)  .49959(18)  .4169(2)  .0393(8) Uani d ? . 1.000
    O18  -.1960(3)  .3802(4)  .3799(3)  .0834(15) Uani d ? . 1.000
    O19  .1055(3)  .25618(18)  .41992(18)  .0340(7) Uani d ? . 1.000
    O20  -.1095(3)  .25942(17)  .58231(17)  .0325(7) Uani d ? . 1.000
    O21  .1414(4)  .4886(3)  .0572(3)  .0728(13) Uani d ? . 1.000
    O22  .2415(5)  .3379(4)  .8124(3)  .1072(17) Uani d ? . 1.000
    O23A  .0060(14)  .4992(8)  .7815(9)  .114(4) Uiso d ? .  .450
    O23  .0159(7)  .4405(6)  .7742(5)  .070(2)   Uiso d ? .  .550
    O24  .1889(5)  .5965(4)  .8061(4)  .0569(13) Uiso d ? .  .650
    O24A  .2405(10)  .6579(7)  .8097(7)  .058(3) Uiso d ? .  .350
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    I O1 . . 1.890(2) yes
    I O2 . . 1.885(2) yes
    I O3 . . 1.881(2) yes
    Mo1 O1 . . 2.317(2) yes
    Mo1 O2 . . 2.353(2) yes
    Mo1 O4 . . 1.701(3) yes
    Mo1 O5 . . 1.915(2) yes
    Mo1 O6 . . 1.711(3) yes
    Mo1 O7 . . 1.948(2) yes
    Mo2 O2 . . 2.331(2) yes
    Mo2 O3 . . 2.337(2) yes
    Mo2 O5 . . 1.930(2) yes
    Mo2 O8 . . 1.694(3) yes
    Mo2 O9 . . 1.697(3) yes
    Mo2 O10 . . 1.926(2) yes
    Mo3 O1 . 3_666 2.331(2) yes
    Mo3 O3 . . 2.347(2) yes
    Mo3 O7 . 3_666 1.935(2) yes
    Mo3 O10 . . 1.923(2) yes
    Mo3 O11 . . 1.714(3) yes
    Mo3 O12 . . 1.697(3) yes
    Cr O13 . . 1.968(3) yes
    Cr O13A . . 1.93(3) yes
    Cr O14 . . 1.969(3) yes
    Cr O14A . . 1.90(3) yes
    Cr O15 . . 1.968(3) yes
    Cr O15A . . 1.93(3) yes
    Na O16 . . 2.378(4) yes
    Na O17 . . 2.435(3) yes
    Na O17 . 3_566 2.437(3) yes
    Na O18 . . 2.377(4) yes
    Na O19 . . 2.449(3) yes
    Na O20 . . 2.451(3) yes
loop_
    _geom_contact_atom_site_label_1
    _geom_contact_atom_site_label_2
    _geom_contact_distance
    _geom_contact_site_symmetry_1
    _geom_contact_site_symmetry_2
    _geom_contact_publ_flag
    O1 O17 2.827(4) . . no
    O2 O18 2.821(4) . 1_655 no
    O3 O16 2.816(4) . . no
    O4 O23A 3.026(14) . 3_566 no
    O4 O21 3.072(5) . . no
    O4 O10 3.297(4) . 4_454 no
    O5 O19 2.715(3) . . no
    O5 O12 3.350(4) . 4_454 no
    O6 O20 2.792(4) . 4_554 no
    O6 O13 3.196(4) . 4_554 no
    O6 O22 3.242(5) . 4_554 no
    O6 O24A 3.278(10) . 3_666 no
    O6 O23 3.436(8) . 4_554 no
    O6 O18 3.536(5) . 1_655 no
    O7 O13 2.629(3) . 4_554 no
    O7 O13A 2.66(3) . 2 no
    O8 O24A 2.784(10) . 2_546 no
    O8 O24 2.803(6) . 2_546 no
    O8 O14A 3.19(4) . . no
    O8 O15 3.312(4) . . no
    O8 O21 3.411(5) . 2_545 no
    O8 O19 3.477(4) . . no
    O8 O21 3.575(5) . 4 no
    O9 O22 2.952(5) . 4_554 no
    O9 O21 2.977(5) . 4 no
    O9 O23 3.188(8) . 4_554 no
    O9 O14 3.244(4) . 1_655 no
    O9 O15A 3.24(3) . 1_655 no
    O9 O20 3.480(4) . 1_655 no
    O10 O20 2.752(3) . 1_655 no
    O11 O19 2.786(4) . 4 no
    O11 O13A 3.00(3) . 4 no
    O11 O22 3.126(6) . . no
    O11 O24A 3.299(10) . 2_546 no
    O11 O16 3.531(5) . . no
    O12 O23 2.812(8) . 1_655 no
    O12 O23A 3.042(14) . 1_655 no
    O12 O21 3.167(5) . 3_666 no
    O12 O15 3.465(4) . 4 no
    O13 O24A 2.603(10) . 2_546 no
    O13 O24 2.640(6) . 2_546 no
    O13 O22 3.510(5) . 2_546 no
    O13 O20 3.545(4) . . no
    O13A O22 2.68(3) . 4_454 no
    O13A O24 3.24(3) . 4_454 no
    O13A O19 3.46(3) . . no
    O13A O24A 3.51(3) . 4_454 no
    O14 O20 2.627(4) . . no
    O14 O22 2.645(5) . 4_454 no
    O14 O19 3.323(4) . . no
    O14 O21 3.343(5) . 4_455 no
    O14A O19 2.52(3) . . no
    O14A O24A 2.94(4) . 2_546 no
    O14A O24 3.07(4) . 2_546 no
    O14A O21 3.21(4) . 2_545 no
    O15 O21 2.618(5) . 2_545 no
    O15 O19 2.680(4) . . no
    O15 O24 3.504(6) . 2_546 no
    O15 O24A 3.538(10) . 2_546 no
    O15A O21 2.62(3) . 4_455 no
    O15A O20 2.66(3) . . no
    O15A O22 3.36(3) . 4_454 no
    O16 O22 2.910(5) . . no
    O16 O23 3.328(8) . . no
    O16 O24A 3.437(11) . 2_546 no
    O17 O23A 2.912(14) . 3_566 no
    O17 O23 2.943(8) . 3_566 no
    O18 O24 2.827(7) . 3_566 no
    O18 O24A 2.829(10) . 3_566 no
    O18 O22 3.254(7) . 4_454 no
    O21 O21 3.068(8) . 3_565 no
    O21 O23A 3.143(14) . 3_566 no
    O21 O23 3.450(8) . 3_566 no
    O22 O23 2.703(10) . . no
    O22 O24A 3.158(12) . 2_546 no
    O22 O23A 3.294(15) . . no
    O23A O24 2.305(15) . . no
    O23A O24A 3.263(17) . . no
    O23 O24 2.811(9) . . no
    I Mo2 3.3006(3) . . no
    I Mo1 3.3167(3) . . no
    I Mo3 3.3175(3) . . no
    Mo1 Mo2 3.3036(4) . . no
    Mo1 Mo3 3.3328(4) . 3_666 no
    Mo2 Mo3 3.2987(4) . . no
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 I O1 . . 3_666 180.00 yes
    O1 I O2 . . . 86.61(9) yes
    O1 I O3 . . . 93.20(9) yes
    O2 I O2 . . 3_666 180.00 yes
    O2 I O3 . . . 87.31(10) yes
    O3 I O3 . . 3_666 180.00 yes
    O1 Mo1 O2 . . . 67.34(8) yes
    O1 Mo1 O4 . . . 94.93(12) yes
    O1 Mo1 O5 . . . 81.69(9) yes
    O1 Mo1 O6 . . . 156.75(11) yes
    O1 Mo1 O7 . . . 72.65(8) yes
    O2 Mo1 O4 . . . 160.98(12) yes
    O2 Mo1 O5 . . . 72.86(9) yes
    O2 Mo1 O6 . . . 91.20(11) yes
    O2 Mo1 O7 . . . 82.04(9) yes
    O4 Mo1 O5 . . . 98.66(12) yes
    O4 Mo1 O6 . . . 107.32(14) yes
    O4 Mo1 O7 . . . 99.70(12) yes
    O5 Mo1 O6 . . . 101.06(12) yes
    O5 Mo1 O7 . . . 149.48(10) yes
    O6 Mo1 O7 . . . 96.46(11) yes
    O2 Mo2 O3 . . . 67.68(8) yes
    O2 Mo2 O5 . . . 73.14(9) yes
    O2 Mo2 O8 . . . 159.21(12) yes
    O2 Mo2 O9 . . . 93.43(11) yes
    O2 Mo2 O10 . . . 81.22(9) yes
    O3 Mo2 O5 . . . 81.04(9) yes
    O3 Mo2 O8 . . . 92.74(12) yes
    O3 Mo2 O9 . . . 159.62(11) yes
    O3 Mo2 O10 . . . 73.31(8) yes
    O5 Mo2 O8 . . . 97.76(12) yes
    O5 Mo2 O9 . . . 101.36(12) yes
    O5 Mo2 O10 . . . 149.08(10) yes
    O8 Mo2 O9 . . . 106.83(16) yes
    O8 Mo2 O10 . . . 100.38(12) yes
    O9 Mo2 O10 . . . 97.08(12) yes
    O1 Mo3 O3 3_666 . . 67.27(8) yes
    O1 Mo3 O7 3_666 . 3_666 72.54(9) yes
    O1 Mo3 O10 3_666 . . 81.39(9) yes
    O1 Mo3 O11 3_666 . . 156.65(11) yes
    O1 Mo3 O12 3_666 . . 95.37(11) yes
    O3 Mo3 O7 . . 3_666 82.26(10) yes
    O3 Mo3 O10 . . . 73.11(9) yes
    O3 Mo3 O11 . . . 91.01(11) yes
    O3 Mo3 O12 . . . 161.15(11) yes
    O7 Mo3 O10 3_666 . . 149.51(10) yes
    O7 Mo3 O11 3_666 . . 97.01(11) yes
    O7 Mo3 O12 3_666 . . 100.01(12) yes
    O10 Mo3 O11 . . . 101.04(12) yes
    O10 Mo3 O12 . . . 97.88(12) yes
    O11 Mo3 O12 . . . 107.16(14) yes
    O13 Cr O13 . . 3_556 180.00 yes
    O13 Cr O13A . . 3_556 35.5(9) yes
    O13 Cr O14 . . . 90.54(13) yes
    O13 Cr O15 . . . 89.30(12) yes
    O13A Cr O13A . . 3_556 180.00 yes
    O13A Cr O14A . . . 82.6(13) yes
    O13A Cr O15A . . . 85.3(12) yes
    O14 Cr O14 . . 3_556 180.00 yes
    O14 Cr O15 . . . 90.36(13) yes
    O14A Cr O14A . . 3_556 180.00 yes
    O14A Cr O15A . . . 94.8(15) yes
    O15 Cr O15 . . 3_556 180.00 yes
    O15A Cr O15A . . 3_556 180.00 yes
    O16 Na O17 . . . 89.23(13) yes
    O16 Na O17 . . 3_566 82.65(13) yes
    O16 Na O18 . . . 172.90(19) yes
    O16 Na O19 . . . 91.67(13) yes
    O16 Na O20 . . . 93.98(13) yes
    O17 Na O17 . . 3_566 86.09(11) yes
    O17 Na O18 . . . 86.03(13) yes
    O17 Na O19 . . . 89.44(10) yes
    O17 Na O20 . . . 173.20(11) yes
    O17 Na O18 3_566 . . 91.74(14) yes
    O17 Na O19 3_566 . . 172.81(11) yes
    O17 Na O20 3_566 . . 88.37(10) yes
    O18 Na O19 . . . 93.57(13) yes
    O18 Na O20 . . . 90.20(13) yes
    O19 Na O20 . . . 96.46(10) yes
    I O1 Mo1 . . . 103.58(9) yes
    I O1 Mo3 . . 3_666 103.10(9) yes
    Mo1 O1 Mo3 . . 3_666 91.61(8) yes
    I O2 Mo1 . . . 102.46(9) yes
    I O2 Mo2 . . . 102.55(9) yes
    Mo1 O2 Mo2 . . . 89.71(8) yes
    I O3 Mo2 . . . 102.45(9) yes
    I O3 Mo3 . . . 102.82(9) yes
    Mo2 O3 Mo3 . . . 89.54(8) yes
    Mo1 O5 Mo2 . . . 118.43(12) yes
    Mo1 O7 Mo3 . . 3_666 118.22(12) yes
    Mo2 O10 Mo3 . . . 117.94(12) yes
    Na O17 Na . . 3_566 93.91(11) yes
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    I O1 Mo1 O2 . . . .  -.87(8) no
    I O1 Mo1 O4 . . . . 172.02(12) no
    I O1 Mo1 O5 . . . . 73.96(11) no
    I O1 Mo1 O6 . . . . -24.7(3) no
    I O1 Mo1 O7 . . . . -89.34(12) no
    I O1 Mo3 O3 . . 3_666 3_666  .90(8) no
    I O1 Mo3 O7 . . 3_666 . 89.68(11) no
    I O1 Mo3 O10 . . 3_666 3_666 -74.32(10) no
    I O1 Mo3 O11 . . 3_666 3_666 23.6(3) no
    I O1 Mo3 O12 . . 3_666 3_666 -171.50(12) no
    I O1 Mo1 O2 . 3_666 3_666 3_666  .87(8) no
    I O1 Mo1 O4 . 3_666 3_666 3_666 -172.02(12) no
    I O1 Mo1 O5 . 3_666 3_666 3_666 -73.96(11) no
    I O1 Mo1 O6 . 3_666 3_666 3_666 24.7(3) no
    I O1 Mo1 O7 . 3_666 3_666 3_666 89.34(12) no
    I O1 Mo3 O3 . 3_666 . .  -.90(8) no
    I O1 Mo3 O7 . 3_666 . 3_666 -89.68(11) no
    I O1 Mo3 O10 . 3_666 . . 74.32(10) no
    I O1 Mo3 O11 . 3_666 . . -23.6(3) no
    I O1 Mo3 O12 . 3_666 . . 171.50(12) no
    I O2 Mo1 O1 . . . .  .87(8) no
    I O2 Mo1 O4 . . . . -21.4(4) no
    I O2 Mo1 O5 . . . . -87.11(11) no
    I O2 Mo1 O6 . . . . 171.68(11) no
    I O2 Mo1 O7 . . . . 75.33(10) no
    I O2 Mo2 O3 . . . .  .12(8) no
    I O2 Mo2 O5 . . . . 87.16(11) no
    I O2 Mo2 O8 . . . . 20.8(4) no
    I O2 Mo2 O9 . . . . -172.00(12) no
    I O2 Mo2 O10 . . . . -75.36(10) no
    I O2 Mo1 O1 . 3_666 3_666 3_666  -.87(8) no
    I O2 Mo1 O4 . 3_666 3_666 3_666 21.4(4) no
    I O2 Mo1 O5 . 3_666 3_666 3_666 87.11(11) no
    I O2 Mo1 O6 . 3_666 3_666 3_666 -171.68(11) no
    I O2 Mo1 O7 . 3_666 3_666 3_666 -75.33(10) no
    I O2 Mo2 O3 . 3_666 3_666 3_666  -.12(8) no
    I O2 Mo2 O5 . 3_666 3_666 3_666 -87.16(11) no
    I O2 Mo2 O8 . 3_666 3_666 3_666 -20.8(4) no
    I O2 Mo2 O9 . 3_666 3_666 3_666 172.00(12) no
    I O2 Mo2 O10 . 3_666 3_666 3_666 75.36(10) no
    I O3 Mo2 O2 . . . .  -.12(8) no
    I O3 Mo2 O5 . . . . -75.48(10) no
    I O3 Mo2 O8 . . . . -172.91(12) no
    I O3 Mo2 O9 . . . . 23.0(4) no
    I O3 Mo2 O10 . . . . 87.07(11) no
    I O3 Mo3 O1 . . . 3_666  .90(8) no
    I O3 Mo3 O7 . . . 3_666 75.16(10) no
    I O3 Mo3 O10 . . . . -86.67(11) no
    I O3 Mo3 O11 . . . . 172.10(12) no
    I O3 Mo3 O12 . . . . -23.2(4) no
    I O3 Mo2 O2 . 3_666 3_666 3_666  .12(8) no
    I O3 Mo2 O5 . 3_666 3_666 3_666 75.48(10) no
    I O3 Mo2 O8 . 3_666 3_666 3_666 172.91(12) no
    I O3 Mo2 O9 . 3_666 3_666 3_666 -23.0(4) no
    I O3 Mo2 O10 . 3_666 3_666 3_666 -87.07(11) no
    I O3 Mo3 O1 . 3_666 3_666 .  -.90(8) no
    I O3 Mo3 O7 . 3_666 3_666 . -75.16(10) no
    I O3 Mo3 O10 . 3_666 3_666 3_666 86.67(11) no
    I O3 Mo3 O11 . 3_666 3_666 3_666 -172.10(12) no
    I O3 Mo3 O12 . 3_666 3_666 3_666 23.2(4) no
    Mo1 O1 I O1 . . . 3_666 23.2(4) no
    Mo1 O1 I O2 . . . . 1.01(9) no
    Mo1 O1 I O2 . . . 3_666 -178.99(9) no
    Mo1 O1 I O3 . . . . -86.11(10) no
    Mo1 O1 I O3 . . . 3_666 93.89(10) no
    Mo1 O1 Mo3 O3 . . 3_666 3_666 -103.44(9) no
    Mo1 O1 Mo3 O7 . . 3_666 . -14.66(9) no
    Mo1 O1 Mo3 O10 . . 3_666 3_666 -178.66(9) no
    Mo1 O1 Mo3 O11 . . 3_666 3_666 -80.7(3) no
    Mo1 O1 Mo3 O12 . . 3_666 3_666 84.16(12) no
    Mo1 O2 I O1 . . . .  -.99(9) no
    Mo1 O2 I O1 . . . 3_666 179.01(9) no
    Mo1 O2 I O2 . . . 3_666 179.01(9) no
    Mo1 O2 I O3 . . . . 92.38(10) no
    Mo1 O2 I O3 . . . 3_666 -87.62(10) no
    Mo1 O2 Mo2 O3 . . . . -102.59(9) no
    Mo1 O2 Mo2 O5 . . . . -15.54(8) no
    Mo1 O2 Mo2 O8 . . . . -81.9(3) no
    Mo1 O2 Mo2 O9 . . . . 85.29(12) no
    Mo1 O2 Mo2 O10 . . . . -178.06(9) no
    Mo1 O5 Mo2 O2 . . . . 21.98(11) no
    Mo1 O5 Mo2 O3 . . . . 91.25(13) no
    Mo1 O5 Mo2 O8 . . . . -177.18(14) no
    Mo1 O5 Mo2 O9 . . . . -68.19(16) no
    Mo1 O5 Mo2 O10 . . . . 57.3(2) no
    Mo1 O7 Mo3 O1 . . 3_666 . 19.97(12) no
    Mo1 O7 Mo3 O3 . . 3_666 3_666 88.50(14) no
    Mo1 O7 Mo3 O10 . . 3_666 3_666 52.5(3) no
    Mo1 O7 Mo3 O11 . . 3_666 3_666 178.56(15) no
    Mo1 O7 Mo3 O12 . . 3_666 3_666 -72.56(17) no
    Mo2 O2 I O1 . . . . -93.50(10) no
    Mo2 O2 I O1 . . . 3_666 86.50(10) no
    Mo2 O2 I O2 . . . 3_666 86.50(10) no
    Mo2 O2 I O3 . . . .  -.13(9) no
    Mo2 O2 I O3 . . . 3_666 179.87(9) no
    Mo2 O2 Mo1 O1 . . . . 103.67(8) no
    Mo2 O2 Mo1 O4 . . . . 81.4(3) no
    Mo2 O2 Mo1 O5 . . . . 15.69(8) no
    Mo2 O2 Mo1 O6 . . . . -85.52(10) no
    Mo2 O2 Mo1 O7 . . . . 178.13(9) no
    Mo2 O3 I O1 . . . . 86.58(10) no
    Mo2 O3 I O1 . . . 3_666 -93.42(10) no
    Mo2 O3 I O2 . . . .  .13(9) no
    Mo2 O3 I O2 . . . 3_666 -179.87(9) no
    Mo2 O3 I O3 . . . 3_666 -179.87(9) no
    Mo2 O3 Mo3 O1 . . . 3_666 103.57(8) no
    Mo2 O3 Mo3 O7 . . . 3_666 177.82(9) no
    Mo2 O3 Mo3 O10 . . . . 16.00(8) no
    Mo2 O3 Mo3 O11 . . . . -85.23(11) no
    Mo2 O3 Mo3 O12 . . . . 79.5(3) no
    Mo2 O5 Mo1 O1 . . . . -90.55(13) no
    Mo2 O5 Mo1 O2 . . . . -21.80(11) no
    Mo2 O5 Mo1 O4 . . . . 175.70(14) no
    Mo2 O5 Mo1 O6 . . . . 66.03(15) no
    Mo2 O5 Mo1 O7 . . . . -57.8(3) no
    Mo2 O10 Mo3 O1 . . . 3_666 -90.99(13) no
    Mo2 O10 Mo3 O3 . . . . -22.24(11) no
    Mo2 O10 Mo3 O7 . . . 3_666 -59.8(3) no
    Mo2 O10 Mo3 O11 . . . . 65.44(15) no
    Mo2 O10 Mo3 O12 . . . . 174.73(14) no
    Mo3 O1 I O1 . 3_666 . . 174.73(14) no
    Mo3 O1 I O2 . 3_666 . . -86.08(10) no
    Mo3 O1 I O2 . 3_666 . 3_666 93.92(10) no
    Mo3 O1 I O3 . 3_666 . . 1.04(9) no
    Mo3 O1 I O3 . 3_666 . 3_666 -178.96(9) no
    Mo3 O1 Mo1 O2 . 3_666 3_666 3_666 -103.02(9) no
    Mo3 O1 Mo1 O4 . 3_666 3_666 3_666 84.09(12) no
    Mo3 O1 Mo1 O5 . 3_666 3_666 3_666 -177.85(9) no
    Mo3 O1 Mo1 O6 . 3_666 3_666 3_666 -79.2(3) no
    Mo3 O1 Mo1 O7 . 3_666 3_666 3_666 -14.55(9) no
    Mo3 O3 I O1 . . . . 178.97(9) no
    Mo3 O3 I O1 . . . 3_666 -1.03(9) no
    Mo3 O3 I O2 . . . . 92.52(10) no
    Mo3 O3 I O2 . . . 3_666 -87.48(10) no
    Mo3 O3 I O3 . . . 3_666 -87.48(10) no
    Mo3 O3 Mo2 O2 . . . . -103.14(9) no
    Mo3 O3 Mo2 O5 . . . . -178.51(9) no
    Mo3 O3 Mo2 O8 . . . . 84.06(11) no
    Mo3 O3 Mo2 O9 . . . . -80.0(3) no
    Mo3 O3 Mo2 O10 . . . . -15.96(8) no
    Mo3 O7 Mo1 O1 . 3_666 3_666 3_666 20.08(12) no
    Mo3 O7 Mo1 O2 . 3_666 3_666 3_666 88.74(14) no
    Mo3 O7 Mo1 O4 . 3_666 3_666 3_666 -72.09(17) no
    Mo3 O7 Mo1 O5 . 3_666 3_666 3_666 54.1(3) no
    Mo3 O7 Mo1 O6 . 3_666 3_666 3_666 179.05(15) no
    Mo3 O10 Mo2 O2 . . . . 91.54(12) no
    Mo3 O10 Mo2 O3 . . . . 22.32(11) no
    Mo3 O10 Mo2 O5 . . . . 57.5(2) no
    Mo3 O10 Mo2 O8 . . . . -67.44(16) no
    Mo3 O10 Mo2 O9 . . . . -176.07(14) no
    O13 Cr O13 O13A . . 3_556 . -35.5(10) no
    O13 Cr O14 O15A . . . . -55.8(19) no
    O13 Cr O14 O15A . . 3_556 3_556 -124.2(19) no
    O13 Cr O14A O15 . . . . 145(3)    no
    O13 Cr O14A O15 . . 3_556 3_556 35(3)    no
    O13 Cr O15 O14A . . . . -33(3)    no
    O13 Cr O15 O14A . . 3_556 3_556 -147(3)    no
    O13 Cr O15A O14 . . . . 121.2(18) no
    O13 Cr O15A O14 . . 3_556 3_556 58.8(18) no
    O13 O13A Cr O13A . 3_556 . . 58.8(18) no
    O13 O13A Cr O14 . 3_556 . . -41.4(15) no
    O13 O13A Cr O14 . 3_556 . 3_556 138.6(15) no
    O13 O13A Cr O14A . 3_556 . . 39.2(16) no
    O13 O13A Cr O14A . 3_556 . 3_556 -140.8(16) no
    O13 O13A Cr O15 . 3_556 . . 59.8(13) no
    O13 O13A Cr O15 . 3_556 . 3_556 -120.2(13) no
    O13 O13A Cr O15A . 3_556 . . -56.3(15) no
    O13 O13A Cr O15A . 3_556 . 3_556 123.7(15) no
    O13A Cr O14 O15A . . . . 147(2)    no
    O13A Cr O14 O15A . . 3_556 3_556 33(2)    no
    O13A Cr O14A O15 . . . . -58(3)    no
    O13A Cr O14A O15 . . 3_556 3_556 -122(3)    no
    O13A Cr O15 O14A . . . . 117(3)    no
    O13A Cr O15 O14A . . 3_556 3_556 63(3)    no
    O13A Cr O15A O14 . . . . -28.9(18) no
    O13A Cr O15A O14 . . 3_556 3_556 -151.1(18) no
    O13A O13 Cr O14 . 3_556 . . 35.4(14) no
    O13A O13 Cr O14 . 3_556 . 3_556 -144.6(14) no
    O13A O13 Cr O14A . 3_556 . . -41.8(18) no
    O13A O13 Cr O14A . 3_556 . 3_556 138.2(18) no
    O13A O13 Cr O15 . 3_556 . . -54.9(14) no
    O13A O13 Cr O15 . 3_556 . 3_556 125.1(14) no
    O13A O13 Cr O15A . 3_556 . . 59.0(17) no
    O13A O13 Cr O15A . 3_556 . 3_556 -121.0(17) no
    O14 Cr O14 O15A . . 3_556 3_556 -121.0(17) no
    O14 Cr O14A O15 . . . . -120(3)    no
    O14 Cr O14A O15 . . 3_556 3_556 -60(3)    no
    O14 Cr O15 O14A . . . . 58(3)    no
    O14 Cr O15 O14A . . 3_556 3_556 122(3)    no
    O14 O15A Cr O14A . . . . 53.3(19) no
    O14 O15A Cr O14A . . . 3_556 -126.7(19) no
    O14 O15A Cr O15 . . . . 38(2)    no
    O14 O15A Cr O15 . . . 3_556 -142(2)    no
    O14 O15A Cr O15A . . . 3_556 -142(2)    no
    O14A Cr O14 O15A . . . . -125(2)    no
    O14A Cr O14 O15A . . 3_556 3_556 -55(2)    no
    O14A Cr O14A O15 . . 3_556 3_556 -55(2)    no
    O14A O15 Cr O15 . . . 3_556 -55(2)    no
    O14A O15 Cr O15A . . . . 41(3)    no
    O14A O15 Cr O15A . . . 3_556 -139(3)    no
    O15 Cr O14 O15A . . . . -145.1(19) no
    O15 Cr O14 O15A . . 3_556 3_556 -34.9(19) no
    O15 O14A Cr O15A . . . . -143(3)    no
    O15 O14A Cr O15A . . . 3_556 37(3)    no
