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###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
data_global
_audit_creation_method     'SHELXL-97 with enCIFer and PrintCIF'
_journal_date_recd_electronic     2004-08-26
_journal_date_accepted     2004-09-27
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2004
_journal_volume     60
_journal_issue     12
_journal_page_first     i117
_journal_page_last     i119
_journal_paper_category     FI
_publ_contact_author_name     'Priv.-Doz. Dr. Hubert Huppertz'
_publ_contact_author_address
;
Department fur Chemie und Biochemie
Ludwig-Maximilians-Universitat Munchen
Butenandtstrasse 5-13
81377 Munchen
Germany
;
_publ_contact_author_email     huh@cup.uni-muenchen.de
_publ_contact_author_fax     '+49-89-2180-77440'
_publ_contact_author_phone     '+49-89-2180-77442'
_publ_section_title
;
High-pressure synthesis of ν-DyBO₃
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Emme, Holger' ?
;
Department of Chemistry and Biochemistry
Ludwig-Maximilians-Universität München
Butenandtstrasse 5-13
81377 München
Germany,
;
    'Huppertz, Hubert' ?
;
Department of Chemistry and Biochemistry
Ludwig-Maximilians-Universität München
Butenandtstrasse 5-13
81377 München
Germany,
;
_publ_section_synopsis
;
The title compound was obtained by the reaction of Dy₂O₃ and B₂O₃
under conditions of high temperature and pressure (3 GPa and 1323 K) using
a Walker-type multi-anvil assembly. Its crystal structure has been determined
by single-crystal X-ray diffraction.
;
data_I
_chemical_name_systematic
;
Dysprosium borate
;
_chemical_name_common     'ν-dysprosium orthoborate'
_chemical_formula_moiety     'B Dy O3'
_chemical_formula_sum     'B Dy O3'
_chemical_formula_iupac     'Dy B O3'
_chemical_formula_weight     221.31
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     6.1463(12)
_cell_length_b     6.3856(13)
_cell_length_c     6.3894(13)
_cell_angle_alpha     92.52(3)
_cell_angle_beta     107.65(3)
_cell_angle_gamma     108.29(3)
_cell_volume     224.20(10)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3498
_cell_measurement_theta_min     3.134
_cell_measurement_theta_max     37.785
_cell_measurement_temperature     293(2)
_exptl_crystal_description     rod
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.027
_exptl_crystal_size_mid     0.018
_exptl_crystal_size_min     0.008
_exptl_crystal_density_diffrn     6.557
_exptl_crystal_density_meas     'not measured'
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     380
_exptl_absorpt_coefficient_mu     33.014
_exptl_absorpt_correction_type     '\y scan'
_exptl_absorpt_process_details     '(XPREP; Siemens, 1996)'
_exptl_absorpt_correction_T_min     0.43202
_exptl_absorpt_correction_T_max     0.75953
_exptl_special_details
;
Crystal embedded in oil and mounted with wax
;
_diffrn_ambient_temperature     200(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Nonius KappaCCD area-detector'
_diffrn_measurement_method     '95 mm CCD camera on κ-Goniostat'
_diffrn_detector_area_resol_mean     9
_diffrn_reflns_number     6397
_diffrn_reflns_av_R_equivalents     0.0460
_diffrn_reflns_av_sigmaI/netI     0.0418
_diffrn_reflns_theta_min     3.39
_diffrn_reflns_theta_max     32.48
_diffrn_reflns_theta_full     32.48
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -9
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -9
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     1623
_reflns_number_gt     1446
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0293
_refine_ls_R_factor_gt     0.0218
_refine_ls_wR_factor_gt     0.0498
_refine_ls_wR_factor_ref     0.0513
_refine_ls_goodness_of_fit_ref     1.147
_refine_ls_restrained_S_all     1.147
_refine_ls_number_reflns     1623
_refine_ls_number_parameters     92
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0081P)²+0.5392P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     2.532
_refine_diff_density_min     -2.721
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_extinction_coef     0.0101(5)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'B' 'B' 0.0013 0.0007
                         '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'
    'Dy' 'Dy' -0.1892 4.4098
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'COLLECT (Nonius, 1998)'
_computing_cell_refinement     'HKL SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_reduction
                            'HKL DENZO (Otwinowski & Minor, 1997) and SCALEPACK'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'DIAMOND (Brandenburg & Berndt, 1999)'
_computing_publication_material     'enCIFer (Allen et al., 2004) and SHELXL97'
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_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Dy1 0.94025(4) 0.71995(4) 0.81700(3) 0.00547(8) Uani d . 1 . . Dy
    Dy2 0.55505(4) 0.84498(4) 0.27142(3) 0.00615(8) Uani d . 1 . . Dy
    O1 0.5894(6) 0.8664(6) 0.6455(6) 0.0079(7) Uani d . 1 . . O
    O2 0.5327(6) 0.5246(6) 0.7716(6) 0.0099(7) Uani d . 1 . . O
    O4 1.1206(6) 0.6610(6) 0.2034(6) 0.0073(6) Uani d . 1 . . O
    O3 0.3484(6) 0.7820(6) 0.8760(6) 0.0085(7) Uani d . 1 . . O
    O5 0.8722(6) 0.8830(6) 0.1289(5) 0.0068(6) Uani d . 1 . . O
    O6 0.9555(8) 0.7643(7) 0.4773(6) 0.0155(8) Uani d . 1 . . O
    B1 0.4778(10) 0.7132(9) 0.7601(9) 0.0065(9) Uani d . 1 . . B
    B2 0.9897(10) 0.7686(9) 0.2815(9) 0.0062(9) Uani d . 1 . . B
_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Dy1 O6 . 2.227(4) yes
    Dy1 O3 1_655 2.320(3) yes
    Dy1 O4 2_766 2.334(4) yes
    Dy1 O2 . 2.341(4) yes
    Dy1 O5 2_776 2.393(4) yes
    Dy1 O5 1_556 2.414(3) yes
    Dy1 O4 1_556 2.480(4) yes
    Dy1 O1 . 2.578(4) yes
    Dy1 B1 . 2.740(5) no
    Dy1 B2 1_556 2.882(5) no
    Dy1 Dy2 2_776 3.6678(13) no
    Dy1 Dy2 2_666 3.8061(16) no
    Dy2 O2 2_666 2.234(4) yes
    Dy2 O1 . 2.329(3) yes
    Dy2 O5 . 2.342(3) yes
    Dy2 O1 2_676 2.386(3) yes
    Dy2 O3 1_554 2.409(4) yes
    Dy2 O4 1_455 2.446(4) yes
    Dy2 O3 2_676 2.562(4) yes
    Dy2 O6 . 2.635(4) yes
    Dy2 B2 . 2.845(5) no
    Dy2 B1 2_676 2.903(6) no
    Dy2 Dy1 2_776 3.6678(13) no
    Dy2 Dy2 2_676 3.8000(11) no
    B1 O1 . 1.382(7) yes
    B1 O2 . 1.347(6) yes
    B1 O3 . 1.386(6) yes
    B2 O4 . 1.388(6) yes
    B2 O5 . 1.405(6) yes
    B2 O6 . 1.330(6) yes
    B1 Dy2 2_676 2.903(6) no
    B2 Dy1 1_554 2.882(5) no
    O1 Dy2 2_676 2.386(3) no
    O2 Dy2 2_666 2.234(4) no
    O4 Dy1 2_766 2.334(4) no
    O4 Dy2 1_655 2.446(4) no
    O4 Dy1 1_554 2.480(4) no
    O3 Dy1 1_455 2.320(3) no
    O3 Dy2 1_556 2.409(3) no
    O3 Dy2 2_676 2.562(4) no
    O5 Dy1 2_776 2.393(4) no
    O5 Dy1 1_554 2.414(3) 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_3
    _geom_angle
    _geom_angle_publ_flag
    O6 Dy1 O3 . 1_655 79.20(14) no
    O6 Dy1 O4 . 2_766 98.96(14) no
    O3 Dy1 O4 1_655 2_766 87.93(12) no
    O6 Dy1 O2 . . 106.20(15) no
    O3 Dy1 O2 1_655 . 158.74(13) no
    O4 Dy1 O2 2_766 . 70.99(12) no
    O6 Dy1 O5 . 2_776 80.44(14) no
    O3 Dy1 O5 1_655 2_776 74.91(12) no
    O4 Dy1 O5 2_766 2_776 162.68(12) no
    O2 Dy1 O5 . 2_776 125.98(12) no
    O6 Dy1 O5 . 1_556 143.47(13) no
    O3 Dy1 O5 1_655 1_556 112.85(12) no
    O4 Dy1 O5 2_766 1_556 115.28(12) no
    O2 Dy1 O5 . 1_556 75.38(13) no
    O5 Dy1 O5 2_776 1_556 70.66(14) no
    O6 Dy1 O4 . 1_556 151.56(13) no
    O3 Dy1 O4 1_655 1_556 73.03(12) no
    O4 Dy1 O4 2_766 1_556 74.30(13) no
    O2 Dy1 O4 . 1_556 97.74(13) no
    O5 Dy1 O4 2_776 1_556 97.91(12) no
    O5 Dy1 O4 1_556 1_556 57.50(11) no
    O6 Dy1 O1 . . 76.70(13) no
    O3 Dy1 O1 1_655 . 143.95(13) no
    O4 Dy1 O1 2_766 . 121.94(12) no
    O2 Dy1 O1 . . 56.02(13) no
    O5 Dy1 O1 2_776 . 74.96(12) no
    O5 Dy1 O1 1_556 . 74.60(11) no
    O4 Dy1 O1 1_556 . 130.64(11) no
    O6 Dy1 B1 . . 100.34(15) no
    O3 Dy1 B1 1_655 . 171.62(15) no
    O4 Dy1 B1 2_766 . 100.38(15) no
    O2 Dy1 B1 . . 29.44(14) no
    O5 Dy1 B1 2_776 . 96.74(14) no
    O5 Dy1 B1 1_556 . 62.69(13) no
    O4 Dy1 B1 1_556 . 108.03(14) no
    O1 Dy1 B1 . . 29.94(14) no
    O6 Dy1 B2 . 1_556 166.88(16) no
    O3 Dy1 B2 1_655 1_556 95.39(14) no
    O4 Dy1 B2 2_766 1_556 92.73(14) no
    O2 Dy1 B2 . 1_556 83.18(15) no
    O5 Dy1 B2 2_776 1_556 86.63(14) no
    O5 Dy1 B2 1_556 1_556 29.07(13) no
    O4 Dy1 B2 1_556 1_556 28.78(13) no
    O1 Dy1 B2 . 1_556 102.13(13) no
    B1 Dy1 B2 . 1_556 83.26(15) no
    O6 Dy1 Dy2 . 2_776 58.44(12) no
    O3 Dy1 Dy2 1_655 2_776 43.85(10) no
    O4 Dy1 Dy2 2_766 2_776 126.88(9) no
    O2 Dy1 Dy2 . 2_776 155.69(10) no
    O5 Dy1 Dy2 2_776 2_776 38.73(8) no
    O5 Dy1 Dy2 1_556 2_776 105.35(9) no
    O4 Dy1 Dy2 1_556 2_776 102.99(9) no
    O1 Dy1 Dy2 . 2_776 100.25(9) no
    B1 Dy1 Dy2 . 2_776 128.92(12) no
    B2 Dy1 Dy2 1_556 2_776 109.52(12) no
    O6 Dy1 Dy2 . 2_666 103.85(12) no
    O3 Dy1 Dy2 1_655 2_666 126.19(9) no
    O4 Dy1 Dy2 2_766 2_666 38.25(8) no
    O2 Dy1 Dy2 . 2_666 32.83(9) no
    O5 Dy1 Dy2 2_776 2_666 158.81(8) no
    O5 Dy1 Dy2 1_556 2_666 96.11(9) no
    O4 Dy1 Dy2 1_556 2_666 87.97(9) no
    O1 Dy1 Dy2 . 2_666 85.73(9) no
    B1 Dy1 Dy2 . 2_666 62.13(12) no
    B2 Dy1 Dy2 1_556 2_666 89.02(12) no
    Dy2 Dy1 Dy2 2_776 2_666 158.539(13) no
    O2 Dy2 O1 2_666 . 92.83(13) no
    O2 Dy2 O5 2_666 . 89.63(13) no
    O1 Dy2 O5 . . 126.00(12) no
    O2 Dy2 O1 2_666 2_676 143.27(13) no
    O1 Dy2 O1 . 2_676 72.59(14) no
    O5 Dy2 O1 . 2_676 126.41(13) no
    O2 Dy2 O3 2_666 1_554 84.30(14) no
    O1 Dy2 O3 . 1_554 156.42(12) no
    O5 Dy2 O3 . 1_554 77.47(11) no
    O1 Dy2 O3 2_676 1_554 95.94(12) no
    O2 Dy2 O4 2_666 1_455 70.74(12) no
    O1 Dy2 O4 . 1_455 84.78(12) no
    O5 Dy2 O4 . 1_455 145.04(11) no
    O1 Dy2 O4 2_676 1_455 74.41(12) no
    O3 Dy2 O4 1_554 1_455 72.16(12) no
    O2 Dy2 O3 2_666 2_676 151.17(12) no
    O1 Dy2 O3 . 2_676 115.80(12) no
    O5 Dy2 O3 . 2_676 71.37(12) no
    O1 Dy2 O3 2_676 2_676 56.71(11) no
    O3 Dy2 O3 1_554 2_676 70.78(14) no
    O4 Dy2 O3 1_455 2_676 112.98(11) no
    O2 Dy2 O6 2_666 . 72.06(14) no
    O1 Dy2 O6 . . 73.92(12) no
    O5 Dy2 O6 . . 55.81(12) no
    O1 Dy2 O6 2_676 . 131.17(12) no
    O3 Dy2 O6 1_554 . 126.53(11) no
    O4 Dy2 O6 1_455 . 135.73(13) no
    O3 Dy2 O6 2_676 . 111.21(13) no
    O2 Dy2 B2 2_666 . 73.33(14) no
    O1 Dy2 B2 . . 101.50(14) no
    O5 Dy2 B2 . . 29.43(14) no
    O1 Dy2 B2 2_676 . 141.65(14) no
    O3 Dy2 B2 1_554 . 100.06(13) no
    O4 Dy2 B2 1_455 . 143.79(13) no
    O3 Dy2 B2 2_676 . 96.45(14) no
    O6 Dy2 B2 . . 27.76(13) no
    O2 Dy2 B1 2_666 2_676 163.07(14) no
    O1 Dy2 B1 . 2_676 93.84(14) no
    O5 Dy2 B1 . 2_676 98.94(14) no
    O1 Dy2 B1 2_676 2_676 28.20(13) no
    O3 Dy2 B1 1_554 2_676 83.37(14) no
    O4 Dy2 B1 1_455 2_676 94.39(13) no
    O3 Dy2 B1 2_676 2_676 28.52(12) no
    O6 Dy2 B1 . 2_676 124.78(14) no
    B2 Dy2 B1 . 2_676 120.33(16) no
    O2 Dy2 Dy1 2_666 2_776 129.08(9) no
    O1 Dy2 Dy1 . 2_776 111.51(10) no
    O5 Dy2 Dy1 . 2_776 39.73(9) no
    O1 Dy2 Dy1 2_676 2_776 87.54(9) no
    O3 Dy2 Dy1 1_554 2_776 87.89(9) no
    O4 Dy2 Dy1 1_455 2_776 151.12(9) no
    O3 Dy2 Dy1 2_676 2_776 38.86(7) no
    O6 Dy2 Dy1 . 2_776 72.99(10) no
    B2 Dy2 Dy1 . 2_776 58.72(12) no
    B1 Dy2 Dy1 2_676 2_776 61.96(11) no
    O2 Dy2 Dy2 2_666 2_676 122.24(10) no
    O1 Dy2 Dy2 . 2_676 36.81(9) no
    O5 Dy2 Dy2 . 2_676 137.13(9) no
    O1 Dy2 Dy2 2_676 2_676 35.78(8) no
    O3 Dy2 Dy2 1_554 2_676 128.80(8) no
    O4 Dy2 Dy2 1_455 2_676 77.03(8) no
    O3 Dy2 Dy2 2_676 2_676 85.53(7) no
    O6 Dy2 Dy2 . 2_676 104.10(8) no
    B2 Dy2 Dy2 . 2_676 127.92(11) no
    B1 Dy2 Dy2 2_676 2_676 59.18(11) no
    Dy1 Dy2 Dy2 2_776 2_676 101.41(3) no
    B1 O1 Dy2 . . 131.1(3) no
    B1 O1 Dy2 . 2_676 97.2(3) no
    Dy2 O1 Dy2 . 2_676 107.41(14) no
    B1 O1 Dy1 . . 81.5(3) no
    Dy2 O1 Dy1 . . 103.23(12) no
    Dy2 O1 Dy1 2_676 . 139.57(15) no
    B1 O2 Dy2 . 2_666 154.6(3) no
    B1 O2 Dy1 . . 91.9(3) no
    Dy2 O2 Dy1 2_666 . 112.55(14) no
    B2 O4 Dy1 . 2_766 125.6(3) no
    B2 O4 Dy2 . 1_655 120.8(3) no
    Dy1 O4 Dy2 2_766 1_655 105.53(13) no
    B2 O4 Dy1 . 1_554 91.9(3) no
    Dy1 O4 Dy1 2_766 1_554 105.70(13) no
    Dy2 O4 Dy1 1_655 1_554 101.72(13) no
    B1 O3 Dy1 . 1_455 135.2(3) no
    B1 O3 Dy2 . 1_556 111.5(3) no
    Dy1 O3 Dy2 1_455 1_556 107.77(13) no
    B1 O3 Dy2 . 2_676 89.5(3) no
    Dy1 O3 Dy2 1_455 2_676 97.29(13) no
    Dy2 O3 Dy2 1_556 2_676 109.22(14) no
    B2 O5 Dy2 . . 95.5(3) no
    B2 O5 Dy1 . 2_776 116.6(3) no
    Dy2 O5 Dy1 . 2_776 101.54(12) no
    B2 O5 Dy1 . 1_554 94.3(2) no
    Dy2 O5 Dy1 . 1_554 138.82(16) no
    Dy1 O5 Dy1 2_776 1_554 109.34(14) no
    B2 O6 Dy1 . . 169.8(3) no
    B2 O6 Dy2 . . 84.9(3) no
    Dy1 O6 Dy2 . . 104.38(14) no
    O2 B1 O1 . . 116.4(4) yes
    O2 B1 O3 . . 126.4(5) yes
    O1 B1 O3 . . 116.5(4) yes
    O2 B1 Dy1 . . 58.7(2) no
    O1 B1 Dy1 . . 68.6(2) no
    O3 B1 Dy1 . . 140.1(3) no
    O2 B1 Dy2 . 2_676 169.8(4) no
    O1 B1 Dy2 . 2_676 54.6(2) no
    O3 B1 Dy2 . 2_676 62.0(3) no
    Dy1 B1 Dy2 . 2_676 111.29(19) no
    O6 B2 O4 . . 127.0(5) yes
    O6 B2 O5 . . 117.9(4) yes
    O4 B2 O5 . . 114.9(4) yes
    O6 B2 Dy2 . . 67.3(3) no
    O4 B2 Dy2 . . 153.4(3) no
    O5 B2 Dy2 . . 55.0(2) no
    O6 B2 Dy1 . 1_554 166.2(4) no
    O4 B2 Dy1 . 1_554 59.3(2) no
    O5 B2 Dy1 . 1_554 56.6(2) no
    Dy2 B2 Dy1 . 1_554 102.04(17) no
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
    O2 Dy2 O1 B1 2_666 . . . -29.1(4) no
    O5 Dy2 O1 B1 . . . . -120.7(4) no
    O1 Dy2 O1 B1 2_676 . . . 116.5(4) no
    O3 Dy2 O1 B1 1_554 . . . 53.1(5) no
    O4 Dy2 O1 B1 1_455 . . . 41.2(4) no
    O3 Dy2 O1 B1 2_676 . . . 154.3(4) no
    O6 Dy2 O1 B1 . . . . -99.6(4) no
    B2 Dy2 O1 B1 . . . . -102.7(4) no
    B1 Dy2 O1 B1 2_676 . . . 135.3(3) no
    Dy1 Dy2 O1 B1 2_776 . . . -163.4(4) no
    Dy2 Dy2 O1 B1 2_676 . . . 116.5(4) no
    O2 Dy2 O1 Dy2 2_666 . . 2_676 -145.64(14) no
    O5 Dy2 O1 Dy2 . . . 2_676 122.75(15) no
    O1 Dy2 O1 Dy2 2_676 . . 2_676 0.0 no
    O3 Dy2 O1 Dy2 1_554 . . 2_676 -63.4(4) no
    O4 Dy2 O1 Dy2 1_455 . . 2_676 -75.28(14) no
    O3 Dy2 O1 Dy2 2_676 . . 2_676 37.76(17) no
    O6 Dy2 O1 Dy2 . . . 2_676 143.94(17) no
    B2 Dy2 O1 Dy2 . . . 2_676 140.80(15) no
    B1 Dy2 O1 Dy2 2_676 . . 2_676 18.79(16) no
    Dy1 Dy2 O1 Dy2 2_776 . . 2_676 80.10(13) no
    O2 Dy2 O1 Dy1 2_666 . . . 61.07(14) no
    O5 Dy2 O1 Dy1 . . . . -30.5(2) no
    O1 Dy2 O1 Dy1 2_676 . . . -153.3(2) no
    O3 Dy2 O1 Dy1 1_554 . . . 143.3(3) no
    O4 Dy2 O1 Dy1 1_455 . . . 131.43(14) no
    O3 Dy2 O1 Dy1 2_676 . . . -115.53(13) no
    O6 Dy2 O1 Dy1 . . . . -9.35(12) no
    B2 Dy2 O1 Dy1 . . . . -12.49(17) no
    B1 Dy2 O1 Dy1 2_676 . . . -134.50(15) no
    Dy1 Dy2 O1 Dy1 2_776 . . . -73.19(12) no
    Dy2 Dy2 O1 Dy1 2_676 . . . -153.3(2) no
    O6 Dy1 O1 B1 . . . . 141.3(3) no
    O3 Dy1 O1 B1 1_655 . . . -169.4(3) no
    O4 Dy1 O1 B1 2_766 . . . 48.9(3) no
    O2 Dy1 O1 B1 . . . . 20.9(2) no
    O5 Dy1 O1 B1 2_776 . . . -135.2(3) no
    O5 Dy1 O1 B1 1_556 . . . -61.6(3) no
    O4 Dy1 O1 B1 1_556 . . . -47.7(3) no
    B2 Dy1 O1 B1 1_556 . . . -52.1(3) no
    Dy2 Dy1 O1 B1 2_776 . . . -164.9(2) no
    Dy2 Dy1 O1 B1 2_666 . . . 35.9(2) no
    O6 Dy1 O1 Dy2 . . . . 10.94(15) no
    O3 Dy1 O1 Dy2 1_655 . . . 60.3(2) no
    O4 Dy1 O1 Dy2 2_766 . . . -81.43(17) no
    O2 Dy1 O1 Dy2 . . . . -109.40(17) no
    O5 Dy1 O1 Dy2 2_776 . . . 94.43(15) no
    O5 Dy1 O1 Dy2 1_556 . . . 168.07(16) no
    O4 Dy1 O1 Dy2 1_556 . . . -178.02(12) no
    B1 Dy1 O1 Dy2 . . . . -130.3(3) no
    B2 Dy1 O1 Dy2 1_556 . . . 177.54(14) no
    Dy2 Dy1 O1 Dy2 2_776 . . . 64.82(12) no
    Dy2 Dy1 O1 Dy2 2_666 . . . -94.39(12) no
    O6 Dy1 O1 Dy2 . . . 2_676 -127.7(3) no
    O3 Dy1 O1 Dy2 1_655 . . 2_676 -78.3(3) no
    O4 Dy1 O1 Dy2 2_766 . . 2_676 140.0(2) no
    O2 Dy1 O1 Dy2 . . . 2_676 112.0(3) no
    O5 Dy1 O1 Dy2 2_776 . . 2_676 -44.2(2) no
    O5 Dy1 O1 Dy2 1_556 . . 2_676 29.5(2) no
    O4 Dy1 O1 Dy2 1_556 . . 2_676 43.4(3) no
    B1 Dy1 O1 Dy2 . . . 2_676 91.1(3) no
    B2 Dy1 O1 Dy2 1_556 . . 2_676 38.9(3) no
    Dy2 Dy1 O1 Dy2 2_776 . . 2_676 -73.8(2) no
    Dy2 Dy1 O1 Dy2 2_666 . . 2_676 127.0(2) no
    O6 Dy1 O2 B1 . . . . -82.3(3) no
    O3 Dy1 O2 B1 1_655 . . . 175.7(3) no
    O4 Dy1 O2 B1 2_766 . . . -176.4(3) no
    O5 Dy1 O2 B1 2_776 . . . 7.6(3) no
    O5 Dy1 O2 B1 1_556 . . . 59.8(3) no
    O4 Dy1 O2 B1 1_556 . . . 113.3(3) no
    O1 Dy1 O2 B1 . . . . -21.3(3) no
    B2 Dy1 O2 B1 1_556 . . . 88.4(3) no
    Dy2 Dy1 O2 B1 2_776 . . . -35.2(4) no
    Dy2 Dy1 O2 B1 2_666 . . . -172.8(4) no
    O6 Dy1 O2 Dy2 . . . 2_666 90.54(19) no
    O3 Dy1 O2 Dy2 1_655 . . 2_666 -11.5(4) no
    O4 Dy1 O2 Dy2 2_766 . . 2_666 -3.56(13) no
    O5 Dy1 O2 Dy2 2_776 . . 2_666 -179.62(12) no
    O5 Dy1 O2 Dy2 1_556 . . 2_666 -127.38(19) no
    O4 Dy1 O2 Dy2 1_556 . . 2_666 -73.95(17) no
    O1 Dy1 O2 Dy2 . . . 2_666 151.5(2) no
    B1 Dy1 O2 Dy2 . . . 2_666 172.8(4) no
    B2 Dy1 O2 Dy2 1_556 . . 2_666 -98.83(18) no
    Dy2 Dy1 O2 Dy2 2_776 . . 2_666 137.63(13) no
    O2 Dy2 O5 B2 2_666 . . . -55.1(3) no
    O1 Dy2 O5 B2 . . . . 38.2(3) no
    O1 Dy2 O5 B2 2_676 . . . 132.5(3) no
    O3 Dy2 O5 B2 1_554 . . . -139.3(3) no
    O4 Dy2 O5 B2 1_455 . . . -109.3(3) no
    O3 Dy2 O5 B2 2_676 . . . 147.0(3) no
    O6 Dy2 O5 B2 . . . . 13.3(3) no
    B1 Dy2 O5 B2 2_676 . . . 139.6(3) no
    Dy1 Dy2 O5 B2 2_776 . . . 118.7(3) no
    Dy2 Dy2 O5 B2 2_676 . . . 85.9(3) no
    O2 Dy2 O5 Dy1 2_666 . . 2_776 -173.73(13) no
    O1 Dy2 O5 Dy1 . . . 2_776 -80.50(17) no
    O1 Dy2 O5 Dy1 2_676 . . 2_776 13.88(18) no
    O3 Dy2 O5 Dy1 1_554 . . 2_776 102.03(14) no
    O4 Dy2 O5 Dy1 1_455 . . 2_776 132.05(18) no
    O3 Dy2 O5 Dy1 2_676 . . 2_776 28.34(11) no
    O6 Dy2 O5 Dy1 . . . 2_776 -105.32(17) no
    B2 Dy2 O5 Dy1 . . . 2_776 -118.7(3) no
    B1 Dy2 O5 Dy1 2_676 . . 2_776 20.92(15) no
    Dy2 Dy2 O5 Dy1 2_676 . . 2_776 -32.72(18) no
    O2 Dy2 O5 Dy1 2_666 . . 1_554 48.0(2) no
    O1 Dy2 O5 Dy1 . . . 1_554 141.2(2) no
    O1 Dy2 O5 Dy1 2_676 . . 1_554 -124.4(2) no
    O3 Dy2 O5 Dy1 1_554 . . 1_554 -36.3(2) no
    O4 Dy2 O5 Dy1 1_455 . . 1_554 -6.3(4) no
    O3 Dy2 O5 Dy1 2_676 . . 1_554 -110.0(2) no
    O6 Dy2 O5 Dy1 . . . 1_554 116.4(3) no
    B2 Dy2 O5 Dy1 . . . 1_554 103.0(4) no
    B1 Dy2 O5 Dy1 2_676 . . 1_554 -117.4(2) no
    Dy1 Dy2 O5 Dy1 2_776 . . 1_554 -138.3(3) no
    Dy2 Dy2 O5 Dy1 2_676 . . 1_554 -171.03(13) no
    O3 Dy1 O6 B2 1_655 . . . 42(2) no
    O4 Dy1 O6 B2 2_766 . . . -44(2) no
    O2 Dy1 O6 B2 . . . . -117(2) no
    O5 Dy1 O6 B2 2_776 . . . 118(2) no
    O5 Dy1 O6 B2 1_556 . . . 156(2) no
    O4 Dy1 O6 B2 1_556 . . . 29(2) no
    O1 Dy1 O6 B2 . . . . -165(2) no
    B1 Dy1 O6 B2 . . . . -146(2) no
    B2 Dy1 O6 B2 1_556 . . . 109(2) no
    Dy2 Dy1 O6 B2 2_776 . . . 84(2) no
    Dy2 Dy1 O6 B2 2_666 . . . -83(2) no
    O3 Dy1 O6 Dy2 1_655 . . . -162.68(17) no
    O4 Dy1 O6 Dy2 2_766 . . . 111.17(15) no
    O2 Dy1 O6 Dy2 . . . . 38.48(18) no
    O5 Dy1 O6 Dy2 2_776 . . . -86.37(15) no
    O5 Dy1 O6 Dy2 1_556 . . . -48.7(3) no
    O4 Dy1 O6 Dy2 1_556 . . . -175.33(19) no
    O1 Dy1 O6 Dy2 . . . . -9.70(13) no
    B1 Dy1 O6 Dy2 . . . . 8.81(18) no
    B2 Dy1 O6 Dy2 1_556 . . . -96.1(6) no
    Dy2 Dy1 O6 Dy2 2_776 . . . -120.79(16) no
    Dy2 Dy1 O6 Dy2 2_666 . . . 72.43(13) no
    O2 Dy2 O6 B2 2_666 . . . 88.1(3) no
    O1 Dy2 O6 B2 . . . . -173.4(3) no
    O5 Dy2 O6 B2 . . . . -14.1(3) no
    O1 Dy2 O6 B2 2_676 . . . -125.1(3) no
    O3 Dy2 O6 B2 1_554 . . . 19.8(4) no
    O4 Dy2 O6 B2 1_455 . . . 122.2(3) no
    O3 Dy2 O6 B2 2_676 . . . -61.4(3) no
    B1 Dy2 O6 B2 2_676 . . . -90.0(3) no
    Dy1 Dy2 O6 B2 2_776 . . . -54.2(3) no
    Dy2 Dy2 O6 B2 2_676 . . . -152.1(3) no
    O2 Dy2 O6 Dy1 2_666 . . . -87.59(18) no
    O1 Dy2 O6 Dy1 . . . . 10.89(14) no
    O5 Dy2 O6 Dy1 . . . . 170.2(2) no
    O1 Dy2 O6 Dy1 2_676 . . . 59.1(2) no
    O3 Dy2 O6 Dy1 1_554 . . . -155.88(13) no
    O4 Dy2 O6 Dy1 1_455 . . . -53.5(2) no
    O3 Dy2 O6 Dy1 2_676 . . . 122.86(15) no
    B2 Dy2 O6 Dy1 . . . . -175.7(4) no
    B1 Dy2 O6 Dy1 2_676 . . . 94.3(2) no
    Dy1 Dy2 O6 Dy1 2_776 . . . 130.05(16) no
    Dy2 Dy2 O6 Dy1 2_676 . . . 32.21(16) no
    Dy2 O2 B1 O1 2_666 . . . -125.6(7) no
    Dy1 O2 B1 O1 . . . . 38.8(4) no
    Dy2 O2 B1 O3 2_666 . . . 63.8(10) no
    Dy1 O2 B1 O3 . . . . -131.8(5) no
    Dy2 O2 B1 Dy1 2_666 . . . -164.4(8) no
    Dy2 O2 B1 Dy2 2_666 . . 2_676 -153.0(14) no
    Dy1 O2 B1 Dy2 . . . 2_676 11(2) no
    Dy2 O1 B1 O2 . . . . 65.1(6) no
    Dy2 O1 B1 O2 2_676 . . . -174.3(4) no
    Dy1 O1 B1 O2 . . . . -35.1(4) no
    Dy2 O1 B1 O3 . . . . -123.4(4) no
    Dy2 O1 B1 O3 2_676 . . . -2.7(4) no
    Dy1 O1 B1 O3 . . . . 136.5(4) no
    Dy2 O1 B1 Dy1 . . . . 100.2(3) no
    Dy2 O1 B1 Dy1 2_676 . . . -139.20(15) no
    Dy2 O1 B1 Dy2 . . . 2_676 -120.6(4) no
    Dy1 O1 B1 Dy2 . . . 2_676 139.20(15) no
    Dy1 O3 B1 O2 1_455 . . . -87.0(6) no
    Dy2 O3 B1 O2 1_556 . . . 62.6(6) no
    Dy2 O3 B1 O2 2_676 . . . 173.1(5) no
    Dy1 O3 B1 O1 1_455 . . . 102.4(5) no
    Dy2 O3 B1 O1 1_556 . . . -108.0(4) no
    Dy2 O3 B1 O1 2_676 . . . 2.5(4) no
    Dy1 O3 B1 Dy1 1_455 . . . -169.9(3) no
    Dy2 O3 B1 Dy1 1_556 . . . -20.3(7) no
    Dy2 O3 B1 Dy1 2_676 . . . 90.2(5) no
    Dy1 O3 B1 Dy2 1_455 . . 2_676 99.9(4) no
    Dy2 O3 B1 Dy2 1_556 . . 2_676 -110.5(2) no
    O6 Dy1 B1 O2 . . . . 104.7(3) no
    O4 Dy1 B1 O2 2_766 . . . 3.5(3) no
    O5 Dy1 B1 O2 2_776 . . . -173.8(3) no
    O5 Dy1 B1 O2 1_556 . . . -109.7(3) no
    O4 Dy1 B1 O2 1_556 . . . -73.2(3) no
    O1 Dy1 B1 O2 . . . . 143.0(4) no
    B2 Dy1 B1 O2 1_556 . . . -88.1(3) no
    Dy2 Dy1 B1 O2 2_776 . . . 162.3(2) no
    Dy2 Dy1 B1 O2 2_666 . . . 4.4(2) no
    O6 Dy1 B1 O1 . . . . -38.2(3) no
    O4 Dy1 B1 O1 2_766 . . . -139.5(2) no
    O2 Dy1 B1 O1 . . . . -143.0(4) no
    O5 Dy1 B1 O1 2_776 . . . 43.2(3) no
    O5 Dy1 B1 O1 1_556 . . . 107.3(3) no
    O4 Dy1 B1 O1 1_556 . . . 143.8(2) no
    B2 Dy1 B1 O1 1_556 . . . 129.0(3) no
    Dy2 Dy1 B1 O1 2_776 . . . 19.3(3) no
    Dy2 Dy1 B1 O1 2_666 . . . -138.5(3) no
    O6 Dy1 B1 O3 . . . . -144.4(6) no
    O4 Dy1 B1 O3 2_766 . . . 114.4(6) no
    O2 Dy1 B1 O3 . . . . 110.9(7) no
    O5 Dy1 B1 O3 2_776 . . . -63.0(6) no
    O5 Dy1 B1 O3 1_556 . . . 1.2(5) no
    O4 Dy1 B1 O3 1_556 . . . 37.6(6) no
    O1 Dy1 B1 O3 . . . . -106.2(7) no
    B2 Dy1 B1 O3 1_556 . . . 22.8(6) no
    Dy2 Dy1 B1 O3 2_776 . . . -86.9(6) no
    Dy2 Dy1 B1 O3 2_666 . . . 115.3(6) no
    O6 Dy1 B1 Dy2 . . . 2_676 -73.14(19) no
    O4 Dy1 B1 Dy2 2_766 . . 2_676 -174.34(15) no
    O2 Dy1 B1 Dy2 . . . 2_676 -177.8(4) no
    O5 Dy1 B1 Dy2 2_776 . . 2_676 8.33(18) no
    O5 Dy1 B1 Dy2 1_556 . . 2_676 72.46(17) no
    O4 Dy1 B1 Dy2 1_556 . . 2_676 108.94(18) no
    O1 Dy1 B1 Dy2 . . . 2_676 -34.89(19) no
    B2 Dy1 B1 Dy2 1_556 . . 2_676 94.11(18) no
    Dy2 Dy1 B1 Dy2 2_776 . . 2_676 -15.6(2) no
    Dy2 Dy1 B1 Dy2 2_666 . . 2_676 -173.4(2) no
    Dy1 O6 B2 O4 . . . . 2(3) no
    Dy2 O6 B2 O4 . . . . -153.9(5) no
    Dy1 O6 B2 O5 . . . . 178.3(19) no
    Dy2 O6 B2 O5 . . . . 22.3(4) no
    Dy1 O6 B2 Dy2 . . . . 156(2) no
    Dy1 O6 B2 Dy1 . . . 1_554 115(2) no
    Dy2 O6 B2 Dy1 . . . 1_554 -40.7(16) no
    Dy1 O4 B2 O6 2_766 . . . 54.4(7) no
    Dy2 O4 B2 O6 1_655 . . . -89.9(6) no
    Dy1 O4 B2 O6 1_554 . . . 165.3(5) no
    Dy1 O4 B2 O5 2_766 . . . -122.0(4) no
    Dy2 O4 B2 O5 1_655 . . . 93.8(4) no
    Dy1 O4 B2 O5 1_554 . . . -11.1(4) no
    Dy1 O4 B2 Dy2 2_766 . . . -60.9(9) no
    Dy2 O4 B2 Dy2 1_655 . . . 154.9(6) no
    Dy1 O4 B2 Dy2 1_554 . . . 50.0(8) no
    Dy1 O4 B2 Dy1 2_766 . . 1_554 -110.9(3) no
    Dy2 O4 B2 Dy1 1_655 . . 1_554 104.9(3) no
    Dy2 O5 B2 O6 . . . . -25.3(5) no
    Dy1 O5 B2 O6 2_776 . . . 80.6(5) no
    Dy1 O5 B2 O6 1_554 . . . -165.3(4) no
    Dy2 O5 B2 O4 . . . . 151.4(4) no
    Dy1 O5 B2 O4 2_776 . . . -102.7(4) no
    Dy1 O5 B2 O4 1_554 . . . 11.4(4) no
    Dy1 O5 B2 Dy2 2_776 . . . 105.9(2) no
    Dy1 O5 B2 Dy2 1_554 . . . -139.97(19) no
    Dy2 O5 B2 Dy1 . . . 1_554 139.97(19) no
    Dy1 O5 B2 Dy1 2_776 . . 1_554 -114.2(2) no
    O2 Dy2 B2 O6 2_666 . . . -83.0(3) no
    O1 Dy2 B2 O6 . . . . 6.5(3) no
    O5 Dy2 B2 O6 . . . . 155.8(5) no
    O1 Dy2 B2 O6 2_676 . . . 82.9(4) no
    O3 Dy2 B2 O6 1_554 . . . -163.9(3) no
    O4 Dy2 B2 O6 1_455 . . . -90.4(3) no
    O3 Dy2 B2 O6 2_676 . . . 124.5(3) no
    B1 Dy2 B2 O6 2_676 . . . 107.9(3) no
    Dy1 Dy2 B2 O6 2_776 . . . 114.8(3) no
    Dy2 Dy2 B2 O6 2_676 . . . 35.2(4) no
    O2 Dy2 B2 O4 2_666 . . . 45.5(8) no
    O1 Dy2 B2 O4 . . . . 135.0(8) no
    O5 Dy2 B2 O4 . . . . -75.7(8) no
    O1 Dy2 B2 O4 2_676 . . . -148.6(8) no
    O3 Dy2 B2 O4 1_554 . . . -35.4(9) no
    O4 Dy2 B2 O4 1_455 . . . 38.1(9) no
    O3 Dy2 B2 O4 2_676 . . . -107.0(8) no
    O6 Dy2 B2 O4 . . . . 128.5(10) no
    B1 Dy2 B2 O4 2_676 . . . -123.6(8) no
    Dy1 Dy2 B2 O4 2_776 . . . -116.7(9) no
    Dy2 Dy2 B2 O4 2_676 . . . 163.7(8) no
    O2 Dy2 B2 O5 2_666 . . . 121.1(3) no
    O1 Dy2 B2 O5 . . . . -149.3(2) no
    O1 Dy2 B2 O5 2_676 . . . -72.9(3) no
    O3 Dy2 B2 O5 1_554 . . . 40.3(3) no
    O4 Dy2 B2 O5 1_455 . . . 113.7(3) no
    O3 Dy2 B2 O5 2_676 . . . -31.3(3) no
    O6 Dy2 B2 O5 . . . . -155.8(5) no
    B1 Dy2 B2 O5 2_676 . . . -47.9(3) no
    Dy1 Dy2 B2 O5 2_776 . . . -41.0(2) no
    Dy2 Dy2 B2 O5 2_676 . . . -120.6(2) no
    O2 Dy2 B2 Dy1 2_666 . . 1_554 87.83(17) no
    O1 Dy2 B2 Dy1 . . . 1_554 177.36(14) no
    O5 Dy2 B2 Dy1 . . . 1_554 -33.3(2) no
    O1 Dy2 B2 Dy1 2_676 . . 1_554 -106.2(2) no
    O3 Dy2 B2 Dy1 1_554 . . 1_554 6.95(18) no
    O4 Dy2 B2 Dy1 1_455 . . 1_554 80.4(3) no
    O3 Dy2 B2 Dy1 2_676 . . 1_554 -64.61(16) no
    O6 Dy2 B2 Dy1 . . . 1_554 170.9(4) no
    B1 Dy2 B2 Dy1 2_676 . . 1_554 -81.22(19) no
    Dy1 Dy2 B2 Dy1 2_776 . . 1_554 -74.32(15) no
    Dy2 Dy2 B2 Dy1 2_676 . . 1_554 -153.96(7) no
