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#$Date: 2016-03-23 00:06:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179093 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/55/4305537.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4305537
loop_
_publ_author_name
'Yi Liu'
'Ling Chen'
'Long-Hua Li'
'Li-Ming Wu'
'Oksana Ya. Zelinska'
'Arthur Mar'
_publ_contact_author_address
; Department of Chemistry
  University of Alberta
  Edmonton, AB
  Canada  T6G 2G2
;
_publ_contact_author_email       arthur.mar@ualberta.ca
_publ_contact_author_fax         '(780) 492-8231'
_publ_contact_author_name        'Dr. Arthur Mar'
_publ_contact_author_phone       '(780) 492-5592'
_publ_section_title
;
Structures and Physical Properties of Rare-Earth Zinc Antimonides
Pr6Zn1+xSb14+yandRE6Zn1+xSb14 (RE= Sm, Gd-Ho)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11930
_journal_page_last               11941
_journal_paper_doi               10.1021/ic800524d
_journal_volume                  47
_journal_year                    2008
_chemical_formula_structural     'Dy6 Zn1.38 Sb14'
_chemical_formula_sum            'Dy6 Sb14 Zn1.38'
_chemical_formula_weight         2770.04
_chemical_name_common            'dysprosium zinc antimonide (6/1/14)'
_chemical_name_systematic        'dysprosium zinc antimonide (6/1/14)'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.1373(4)
_cell_length_b                   14.8016(13)
_cell_length_c                   18.6111(16)
_cell_measurement_reflns_used    3438
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      33.10
_cell_measurement_theta_min      2.19
_cell_volume                     1139.72(18)
_computing_cell_refinement       'Bruker SAINT 7.06 (Bruker, 2004)'
_computing_data_collection       'Bruker SMART 5.054 (Bruker, 1999)'
_computing_data_reduction        'Bruker SAINT 7.06'
_computing_molecular_graphics    'ATOMS 5.1 (Dowty, 1999)'
_computing_publication_material  'Bruker SHELXTL 6.12'
_computing_structure_refinement  'Bruker SHELXTL 6.12'
_computing_structure_solution    'Bruker SHELXTL 6.12'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker Platform/SMART 1000 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7545
_diffrn_reflns_theta_full        33.18
_diffrn_reflns_theta_max         33.18
_diffrn_reflns_theta_min         1.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    37.061
_exptl_absorpt_correction_T_max  0.2042
_exptl_absorpt_correction_T_min  0.0256
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL 6.12 (Sheldrick, 2001)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    8.072
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2303
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.127
_refine_diff_density_min         -7.780
_refine_diff_density_rms         0.997
_refine_ls_extinction_coef       0.00167(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_matrix_type           full
_refine_ls_number_parameters     47
_refine_ls_number_reflns         1271
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0403P)²+27.0135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                1126
_reflns_number_total             1271
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic800524d_si_003_6.cif
_cod_data_source_block           Dy6ZnSb14
_cod_database_code               4305537
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.0000 0.13854(2) 0.36352(2) 0.01166(12) Uani 1 2 d S . .
Dy2 Dy 0.0000 0.0000 0.17667(3) 0.01366(14) Uani 1 4 d S . .
Zn1 Zn 0.5000 0.0000 0.4379(9) 0.018(5) Uiso 0.089(8) 4 d SP . .
Zn2 Zn 0.0000 0.26154(17) 0.5000 0.0172(7) Uani 0.603(8) 4 d SP . .
Sb1 Sb 0.0000 0.21113(4) 0.19726(3) 0.01230(13) Uani 1 2 d S . .
Sb2 Sb 0.0000 0.36796(5) 0.40024(4) 0.02484(17) Uani 1 2 d S . .
Sb3 Sb 0.5000 0.0000 0.30179(4) 0.01130(15) Uani 1 4 d S . .
Sb4 Sb 0.0000 0.34526(6) 0.0000 0.01625(17) Uani 1 4 d S . .
Sb5A Sb 0.5000 0.5000 0.0000 0.0143(4) Uiso 0.256(8) 8 d SP . .
Sb5B Sb 0.3956(10) 0.5000 0.0000 0.0143(4) Uiso 0.375(5) 4 d SP . .
Sb6 Sb 0.0000 0.0000 0.0000 0.0269(3) Uani 1 8 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
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
Zn2 Dy1 Sb3 132.82(2) . 1_455 ?
Zn2 Dy1 Sb3 132.82(2) . . ?
Sb3 Dy1 Sb3 82.702(14) 1_455 . ?
Zn2 Dy1 Zn1 91.2(3) . 1_455 ?
Sb3 Dy1 Zn1 46.9(3) 1_455 1_455 ?
Sb3 Dy1 Zn1 99.49(10) . 1_455 ?
Zn2 Dy1 Zn1 91.2(3) . . ?
Sb3 Dy1 Zn1 99.49(10) 1_455 . ?
Sb3 Dy1 Zn1 46.9(3) . . ?
Zn1 Dy1 Zn1 79.8(2) 1_455 . ?
Zn2 Dy1 Sb1 83.32(3) . 13 ?
Sb3 Dy1 Sb1 137.99(2) 1_455 13 ?
Sb3 Dy1 Sb1 84.257(12) . 13 ?
Zn1 Dy1 Sb1 174.6(3) 1_455 13 ?
Zn1 Dy1 Sb1 100.19(9) . 13 ?
Zn2 Dy1 Sb1 83.32(3) . 13_455 ?
Sb3 Dy1 Sb1 84.257(12) 1_455 13_455 ?
Sb3 Dy1 Sb1 137.99(2) . 13_455 ?
Zn1 Dy1 Sb1 100.19(9) 1_455 13_455 ?
Zn1 Dy1 Sb1 174.6(3) . 13_455 ?
Sb1 Dy1 Sb1 79.302(16) 13 13_455 ?
Zn2 Dy1 Sb5A 74.55(4) . 5_445 ?
Sb3 Dy1 Sb5A 82.766(15) 1_455 5_445 ?
Sb3 Dy1 Sb5A 82.766(15) . 5_445 ?
Zn1 Dy1 Sb5A 42.8(2) 1_455 5_445 ?
Zn1 Dy1 Sb5A 42.8(2) . 5_445 ?
Sb1 Dy1 Sb5A 134.637(10) 13 5_445 ?
Sb1 Dy1 Sb5A 134.637(10) 13_455 5_445 ?
Zn2 Dy1 Sb1 125.22(4) . . ?
Sb3 Dy1 Sb1 82.429(17) 1_455 . ?
Sb3 Dy1 Sb1 82.429(17) . . ?
Zn1 Dy1 Sb1 127.9(3) 1_455 . ?
Zn1 Dy1 Sb1 127.9(3) . . ?
Sb1 Dy1 Sb1 56.308(14) 13 . ?
Sb1 Dy1 Sb1 56.308(14) 13_455 . ?
Sb5A Dy1 Sb1 160.235(16) 5_445 . ?
Zn2 Dy1 Sb4 47.85(2) . 13 ?
Sb3 Dy1 Sb4 138.38(2) 1_455 13 ?
Sb3 Dy1 Sb4 85.150(17) . 13 ?
Zn1 Dy1 Sb4 96.8(3) 1_455 13 ?
Zn1 Dy1 Sb4 46.4(2) . 13 ?
Sb1 Dy1 Sb4 79.504(15) 13 13 ?
Sb1 Dy1 Sb4 128.43(2) 13_455 13 ?
Sb5A Dy1 Sb4 56.230(14) 5_445 13 ?
Sb1 Dy1 Sb4 134.958(12) . 13 ?
Zn2 Dy1 Sb4 47.85(2) . 13_455 ?
Sb3 Dy1 Sb4 85.150(17) 1_455 13_455 ?
Sb3 Dy1 Sb4 138.38(2) . 13_455 ?
Zn1 Dy1 Sb4 46.4(2) 1_455 13_455 ?
Zn1 Dy1 Sb4 96.8(3) . 13_455 ?
Sb1 Dy1 Sb4 128.43(2) 13 13_455 ?
Sb1 Dy1 Sb4 79.504(15) 13_455 13_455 ?
Sb5A Dy1 Sb4 56.230(14) 5_445 13_455 ?
Sb1 Dy1 Sb4 134.958(12) . 13_455 ?
Sb4 Dy1 Sb4 78.070(11) 13 13_455 ?
Zn2 Dy1 Sb5B 74.68(4) . 13 ?
Sb3 Dy1 Sb5B 87.81(5) 1_455 13 ?
Sb3 Dy1 Sb5B 77.79(5) . 13 ?
Zn1 Dy1 Sb5B 50.0(2) 1_455 13 ?
Zn1 Dy1 Sb5B 35.8(2) . 13 ?
Sb1 Dy1 Sb5B 127.79(7) 13 13 ?
Sb1 Dy1 Sb5B 141.28(6) 13_455 13 ?
Sb5A Dy1 Sb5B 7.54(7) 5_445 13 ?
Sb1 Dy1 Sb5B 158.90(3) . 13 ?
Sb4 Dy1 Sb5B 50.68(5) 13 13 ?
Sb4 Dy1 Sb5B 62.07(6) 13_455 13 ?
Sb3 Dy2 Sb3 83.23(2) . 1_455 ?
Sb3 Dy2 Sb1 84.780(11) . . ?
Sb3 Dy2 Sb1 84.780(11) 1_455 . ?
Sb3 Dy2 Sb1 84.780(11) . 2 ?
Sb3 Dy2 Sb1 84.780(11) 1_455 2 ?
Sb1 Dy2 Sb1 166.02(3) . 2 ?
Sb3 Dy2 Sb2 140.101(15) . 14_445 ?
Sb3 Dy2 Sb2 84.527(14) 1_455 14_445 ?
Sb1 Dy2 Sb2 131.579(14) . 14_445 ?
Sb1 Dy2 Sb2 56.337(13) 2 14_445 ?
Sb3 Dy2 Sb2 84.527(14) . 13 ?
Sb3 Dy2 Sb2 140.101(15) 1_455 13 ?
Sb1 Dy2 Sb2 56.337(13) . 13 ?
Sb1 Dy2 Sb2 131.579(14) 2 13 ?
Sb2 Dy2 Sb2 126.60(3) 14_445 13 ?
Sb3 Dy2 Sb2 140.101(15) . 13_455 ?
Sb3 Dy2 Sb2 84.527(14) 1_455 13_455 ?
Sb1 Dy2 Sb2 56.337(13) . 13_455 ?
Sb1 Dy2 Sb2 131.579(14) 2 13_455 ?
Sb2 Dy2 Sb2 75.69(2) 14_445 13_455 ?
Sb2 Dy2 Sb2 80.99(2) 13 13_455 ?
Sb3 Dy2 Sb2 84.527(14) . 14_545 ?
Sb3 Dy2 Sb2 140.101(15) 1_455 14_545 ?
Sb1 Dy2 Sb2 131.579(14) . 14_545 ?
Sb1 Dy2 Sb2 56.337(13) 2 14_545 ?
Sb2 Dy2 Sb2 80.99(2) 14_445 14_545 ?
Sb2 Dy2 Sb2 75.69(2) 13 14_545 ?
Sb2 Dy2 Sb2 126.60(3) 13_455 14_545 ?
Sb3 Dy2 Sb6 138.384(12) . . ?
Sb3 Dy2 Sb6 138.384(12) 1_455 . ?
Sb1 Dy2 Sb6 96.990(14) . . ?
Sb1 Dy2 Sb6 96.990(14) 2 . ?
Sb2 Dy2 Sb6 63.301(15) 14_445 . ?
Sb2 Dy2 Sb6 63.301(15) 13 . ?
Sb2 Dy2 Sb6 63.301(15) 13_455 . ?
Sb2 Dy2 Sb6 63.301(15) 14_545 . ?
Sb5B Zn1 Sb5B 109.5(8) 5_545 13 ?
Sb5B Zn1 Zn1 54.8(4) 5_545 9_656 ?
Sb5B Zn1 Zn1 54.8(4) 13 9_656 ?
Sb5B Zn1 Sb5A 6.04(8) 5_545 5_545 ?
Sb5B Zn1 Sb5A 115.6(8) 13 5_545 ?
Zn1 Zn1 Sb5A 60.8(4) 9_656 5_545 ?
Sb5B Zn1 Sb5A 115.6(8) 5_545 5_445 ?
Sb5B Zn1 Sb5A 6.04(8) 13 5_445 ?
Zn1 Zn1 Sb5A 60.8(4) 9_656 5_445 ?
Sb5A Zn1 Sb5A 121.6(7) 5_545 5_445 ?
Sb5B Zn1 Sb3 125.2(4) 5_545 . ?
Sb5B Zn1 Sb3 125.2(4) 13 . ?
Zn1 Zn1 Sb3 180.000(1) 9_656 . ?
Sb5A Zn1 Sb3 119.2(4) 5_545 . ?
Sb5A Zn1 Sb3 119.2(4) 5_445 . ?
Sb5B Zn1 Sb4 74.9(3) 5_545 13 ?
Sb5B Zn1 Sb4 74.9(3) 13 13 ?
Zn1 Zn1 Sb4 63.2(4) 9_656 13 ?
Sb5A Zn1 Sb4 77.3(3) 5_545 13 ?
Sb5A Zn1 Sb4 77.3(3) 5_445 13 ?
Sb3 Zn1 Sb4 116.8(3) . 13 ?
Sb5B Zn1 Sb4 74.9(3) 5_545 5_545 ?
Sb5B Zn1 Sb4 74.9(3) 13 5_545 ?
Zn1 Zn1 Sb4 63.2(3) 9_656 5_545 ?
Sb5A Zn1 Sb4 77.3(3) 5_545 5_545 ?
Sb5A Zn1 Sb4 77.3(3) 5_445 5_545 ?
Sb3 Zn1 Sb4 116.8(3) . 5_545 ?
Sb4 Zn1 Sb4 126.4(7) 13 5_545 ?
Sb5B Zn1 Sb5B 10.42(13) 5_545 13_655 ?
Sb5B Zn1 Sb5B 120.0(7) 13 13_655 ?
Zn1 Zn1 Sb5B 65.2(3) 9_656 13_655 ?
Sb5A Zn1 Sb5B 4.39(5) 5_545 13_655 ?
Sb5A Zn1 Sb5B 126.0(7) 5_445 13_655 ?
Sb3 Zn1 Sb5B 114.8(3) . 13_655 ?
Sb4 Zn1 Sb5B 79.1(3) 13 13_655 ?
Sb4 Zn1 Sb5B 79.1(3) 5_545 13_655 ?
Sb5B Zn1 Sb5B 120.0(7) 5_545 5_445 ?
Sb5B Zn1 Sb5B 10.42(13) 13 5_445 ?
Zn1 Zn1 Sb5B 65.2(3) 9_656 5_445 ?
Sb5A Zn1 Sb5B 126.0(7) 5_545 5_445 ?
Sb5A Zn1 Sb5B 4.39(5) 5_445 5_445 ?
Sb3 Zn1 Sb5B 114.8(3) . 5_445 ?
Sb4 Zn1 Sb5B 79.1(3) 13 5_445 ?
Sb4 Zn1 Sb5B 79.1(3) 5_545 5_445 ?
Sb5B Zn1 Sb5B 130.4(7) 13_655 5_445 ?
Sb5B Zn1 Dy1 140.49(13) 5_545 2 ?
Sb5B Zn1 Dy1 73.96(10) 13 2 ?
Zn1 Zn1 Dy1 115.4(3) 9_656 2 ?
Sb5A Zn1 Dy1 140.29(4) 5_545 2 ?
Sb5A Zn1 Dy1 69.48(6) 5_445 2 ?
Sb3 Zn1 Dy1 64.6(3) . 2 ?
Sb4 Zn1 Dy1 139.557(10) 13 2 ?
Sb4 Zn1 Dy1 68.02(5) 5_545 2 ?
Sb5B Zn1 Dy1 139.67(2) 13_655 2 ?
Sb5B Zn1 Dy1 66.29(5) 5_445 2 ?
Sb5B Zn1 Dy1 73.96(10) 5_545 1_655 ?
Sb5B Zn1 Dy1 140.49(13) 13 1_655 ?
Zn1 Zn1 Dy1 115.4(3) 9_656 1_655 ?
Sb5A Zn1 Dy1 69.48(6) 5_545 1_655 ?
Sb5A Zn1 Dy1 140.29(4) 5_445 1_655 ?
Sb3 Zn1 Dy1 64.6(3) . 1_655 ?
Sb4 Zn1 Dy1 68.02(5) 13 1_655 ?
Sb4 Zn1 Dy1 139.557(10) 5_545 1_655 ?
Sb5B Zn1 Dy1 66.29(5) 13_655 1_655 ?
Sb5B Zn1 Dy1 139.67(2) 5_445 1_655 ?
Dy1 Zn1 Dy1 129.2(6) 2 1_655 ?
Sb2 Zn2 Sb2 99.38(9) 10_556 . ?
Sb2 Zn2 Sb4 113.128(12) 10_556 13_455 ?
Sb2 Zn2 Sb4 113.128(12) . 13_455 ?
Sb2 Zn2 Sb4 113.128(12) 10_556 13 ?
Sb2 Zn2 Sb4 113.128(12) . 13 ?
Sb4 Zn2 Sb4 105.23(9) 13_455 13 ?
Sb2 Zn2 Dy1 175.32(8) 10_556 . ?
Sb2 Zn2 Dy1 75.94(2) . . ?
Sb4 Zn2 Dy1 69.28(4) 13_455 . ?
Sb4 Zn2 Dy1 69.28(4) 13 . ?
Sb2 Zn2 Dy1 75.94(2) 10_556 10_556 ?
Sb2 Zn2 Dy1 175.32(8) . 10_556 ?
Sb4 Zn2 Dy1 69.28(4) 13_455 10_556 ?
Sb4 Zn2 Dy1 69.28(4) 13 10_556 ?
Dy1 Zn2 Dy1 108.74(7) . 10_556 ?
Sb2 Sb1 Sb2 87.54(2) 13_455 13 ?
Sb2 Sb1 Sb1 177.66(3) 13_455 13 ?
Sb2 Sb1 Sb1 93.927(13) 13 13 ?
Sb2 Sb1 Sb1 93.927(13) 13_455 13_455 ?
Sb2 Sb1 Sb1 177.66(3) 13 13_455 ?
Sb1 Sb1 Sb1 84.55(3) 13 13_455 ?
Sb2 Sb1 Dy2 62.458(18) 13_455 . ?
Sb2 Sb1 Dy2 62.458(18) 13 . ?
Sb1 Sb1 Dy2 116.68(2) 13 . ?
Sb1 Sb1 Dy2 116.68(2) 13_455 . ?
Sb2 Sb1 Dy1 119.90(2) 13_455 13 ?
Sb2 Sb1 Dy1 67.391(18) 13 13 ?
Sb1 Sb1 Dy1 62.399(16) 13 13 ?
Sb1 Sb1 Dy1 113.28(3) 13_455 13 ?
Dy2 Sb1 Dy1 129.703(14) . 13 ?
Sb2 Sb1 Dy1 67.391(18) 13_455 13_455 ?
Sb2 Sb1 Dy1 119.90(2) 13 13_455 ?
Sb1 Sb1 Dy1 113.28(3) 13 13_455 ?
Sb1 Sb1 Dy1 62.399(16) 13_455 13_455 ?
Dy2 Sb1 Dy1 129.703(14) . 13_455 ?
Dy1 Sb1 Dy1 79.302(16) 13 13_455 ?
Sb2 Sb1 Dy1 116.41(2) 13_455 . ?
Sb2 Sb1 Dy1 116.41(2) 13 . ?
Sb1 Sb1 Dy1 61.293(18) 13 . ?
Sb1 Sb1 Dy1 61.293(18) 13_455 . ?
Dy2 Sb1 Dy1 77.841(17) . . ?
Dy1 Sb1 Dy1 123.692(14) 13 . ?
Dy1 Sb1 Dy1 123.692(14) 13_455 . ?
Zn2 Sb2 Sb1 102.09(4) . 13_455 ?
Zn2 Sb2 Sb1 102.09(4) . 13 ?
Sb1 Sb2 Sb1 87.54(2) 13_455 13 ?
Zn2 Sb2 Dy2 137.691(18) . 13 ?
Sb1 Sb2 Dy2 114.63(3) 13_455 13 ?
Sb1 Sb2 Dy2 61.205(15) 13 13 ?
Zn2 Sb2 Dy2 137.691(18) . 13_455 ?
Sb1 Sb2 Dy2 61.205(15) 13_455 13_455 ?
Sb1 Sb2 Dy2 114.63(3) 13 13_455 ?
Dy2 Sb2 Dy2 80.99(2) 13 13_455 ?
Zn2 Sb2 Dy1 61.07(5) . . ?
Sb1 Sb2 Dy1 59.769(16) 13_455 . ?
Sb1 Sb2 Dy1 59.769(16) 13 . ?
Dy2 Sb2 Dy1 120.853(18) 13 . ?
Dy2 Sb2 Dy1 120.853(18) 13_455 . ?
Zn1 Sb3 Dy2 138.384(12) . . ?
Zn1 Sb3 Dy2 138.384(12) . 1_655 ?
Dy2 Sb3 Dy2 83.23(2) . 1_655 ?
Zn1 Sb3 Dy1 68.476(15) . 1_655 ?
Dy2 Sb3 Dy1 135.485(15) . 1_655 ?
Dy2 Sb3 Dy1 80.533(10) 1_655 1_655 ?
Zn1 Sb3 Dy1 68.476(14) . 2 ?
Dy2 Sb3 Dy1 80.533(10) . 2 ?
Dy2 Sb3 Dy1 135.485(15) 1_655 2 ?
Dy1 Sb3 Dy1 136.95(3) 1_655 2 ?
Zn1 Sb3 Dy1 68.476(14) . . ?
Dy2 Sb3 Dy1 80.533(10) . . ?
Dy2 Sb3 Dy1 135.485(15) 1_655 . ?
Dy1 Sb3 Dy1 82.702(14) 1_655 . ?
Dy1 Sb3 Dy1 81.826(15) 2 . ?
Zn1 Sb3 Dy1 68.476(14) . 2_655 ?
Dy2 Sb3 Dy1 135.485(15) . 2_655 ?
Dy2 Sb3 Dy1 80.533(10) 1_655 2_655 ?
Dy1 Sb3 Dy1 81.826(15) 1_655 2_655 ?
Dy1 Sb3 Dy1 82.702(14) 2 2_655 ?
Dy1 Sb3 Dy1 136.95(3) . 2_655 ?
Zn1 Sb4 Zn1 53.6(7) 13 5_454 ?
Zn1 Sb4 Zn2 122.83(12) 13 13_455 ?
Zn1 Sb4 Zn2 122.83(12) 5_454 13_455 ?
Zn1 Sb4 Zn2 122.83(12) 13 13 ?
Zn1 Sb4 Zn2 122.83(12) 5_454 13 ?
Zn2 Sb4 Zn2 105.23(9) 13_455 13 ?
Zn1 Sb4 Sb5B 43.42(19) 13 . ?
Zn1 Sb4 Sb5B 43.42(19) 5_454 . ?
Zn2 Sb4 Sb5B 162.93(9) 13_455 . ?
Zn2 Sb4 Sb5B 91.84(8) 13 . ?
Zn1 Sb4 Sb5B 43.42(19) 13 9_565 ?
Zn1 Sb4 Sb5B 43.42(19) 5_454 9_565 ?
Zn2 Sb4 Sb5B 91.84(8) 13_455 9_565 ?
Zn2 Sb4 Sb5B 162.93(9) 13 9_565 ?
Sb5B Sb4 Sb5B 71.10(14) . 9_565 ?
Zn1 Sb4 Sb5A 48.51(16) 13 . ?
Zn1 Sb4 Sb5A 48.51(16) 5_454 . ?
Zn2 Sb4 Sb5A 169.47(5) 13_455 . ?
Zn2 Sb4 Sb5A 85.30(4) 13 . ?
Sb5B Sb4 Sb5A 6.54(7) . . ?
Sb5B Sb4 Sb5A 77.64(7) 9_565 . ?
Zn1 Sb4 Sb5A 48.51(16) 13 1_455 ?
Zn1 Sb4 Sb5A 48.51(16) 5_454 1_455 ?
Zn2 Sb4 Sb5A 85.30(4) 13_455 1_455 ?
Zn2 Sb4 Sb5A 169.47(5) 13 1_455 ?
Sb5B Sb4 Sb5A 77.64(7) . 1_455 ?
Sb5B Sb4 Sb5A 6.54(7) 9_565 1_455 ?
Sb5A Sb4 Sb5A 84.18(2) . 1_455 ?
Zn1 Sb4 Dy1 65.6(3) 13 13 ?
Zn1 Sb4 Dy1 106.5(3) 5_454 13 ?
Zn2 Sb4 Dy1 123.01(2) 13_455 13 ?
Zn2 Sb4 Dy1 62.87(2) 13 13 ?
Sb5B Sb4 Dy1 64.82(4) . 13 ?
Sb5B Sb4 Dy1 107.86(5) 9_565 13 ?
Sb5A Sb4 Dy1 61.556(10) . 13 ?
Sb5A Sb4 Dy1 111.59(2) 1_455 13 ?
Zn1 Sb4 Dy1 106.5(3) 13 6_454 ?
Zn1 Sb4 Dy1 65.6(3) 5_454 6_454 ?
Zn2 Sb4 Dy1 62.87(2) 13_455 6_454 ?
Zn2 Sb4 Dy1 123.01(2) 13 6_454 ?
Sb5B Sb4 Dy1 107.86(5) . 6_454 ?
Sb5B Sb4 Dy1 64.82(4) 9_565 6_454 ?
Sb5A Sb4 Dy1 111.59(2) . 6_454 ?
Sb5A Sb4 Dy1 61.556(10) 1_455 6_454 ?
Dy1 Sb4 Dy1 171.63(3) 13 6_454 ?
Zn1 Sb4 Dy1 106.5(3) 13 6_554 ?
Zn1 Sb4 Dy1 65.6(3) 5_454 6_554 ?
Zn2 Sb4 Dy1 123.01(2) 13_455 6_554 ?
Zn2 Sb4 Dy1 62.87(2) 13 6_554 ?
Sb5B Sb4 Dy1 64.82(4) . 6_554 ?
Sb5B Sb4 Dy1 107.86(5) 9_565 6_554 ?
Sb5A Sb4 Dy1 61.556(10) . 6_554 ?
Sb5A Sb4 Dy1 111.59(2) 1_455 6_554 ?
Dy1 Sb4 Dy1 101.307(11) 13 6_554 ?
Dy1 Sb4 Dy1 78.070(11) 6_454 6_554 ?
Zn1 Sb4 Dy1 65.6(3) 13 13_455 ?
Zn1 Sb4 Dy1 106.5(3) 5_454 13_455 ?
Zn2 Sb4 Dy1 62.87(2) 13_455 13_455 ?
Zn2 Sb4 Dy1 123.01(2) 13 13_455 ?
Sb5B Sb4 Dy1 107.86(5) . 13_455 ?
Sb5B Sb4 Dy1 64.82(4) 9_565 13_455 ?
Sb5A Sb4 Dy1 111.59(2) . 13_455 ?
Sb5A Sb4 Dy1 61.556(10) 1_455 13_455 ?
Dy1 Sb4 Dy1 78.070(11) 13 13_455 ?
Dy1 Sb4 Dy1 101.307(11) 6_454 13_455 ?
Dy1 Sb4 Dy1 171.63(3) 6_554 13_455 ?
Sb5B Sb5A Zn1 29.2(4) 9_665 13_655 ?
Sb5B Sb5A Zn1 150.8(4) 9_665 5_454 ?
Zn1 Sb5A Zn1 180.0 13_655 5_454 ?
Sb5B Sb5A Zn1 150.8(4) 9_665 13 ?
Zn1 Sb5A Zn1 121.6(7) 13_655 13 ?
Zn1 Sb5A Zn1 58.4(7) 5_454 13 ?
Sb5B Sb5A Zn1 29.2(4) 9_665 5_554 ?
Zn1 Sb5A Zn1 58.4(7) 13_655 5_554 ?
Zn1 Sb5A Zn1 121.6(7) 5_454 5_554 ?
Zn1 Sb5A Zn1 180.000(1) 13 5_554 ?
Sb5B Sb5A Sb4 47.912(11) 9_665 9_665 ?
Zn1 Sb5A Sb4 54.19(15) 13_655 9_665 ?
Zn1 Sb5A Sb4 125.81(15) 5_454 9_665 ?
Zn1 Sb5A Sb4 125.81(15) 13 9_665 ?
Zn1 Sb5A Sb4 54.19(15) 5_554 9_665 ?
Sb5B Sb5A Sb4 132.088(11) 9_665 . ?
Zn1 Sb5A Sb4 125.81(15) 13_655 . ?
Zn1 Sb5A Sb4 54.19(15) 5_454 . ?
Zn1 Sb5A Sb4 54.19(15) 13 . ?
Zn1 Sb5A Sb4 125.81(15) 5_554 . ?
Sb4 Sb5A Sb4 180.0 9_665 . ?
Sb5B Sb5A Sb4 132.088(11) 9_665 9_565 ?
Zn1 Sb5A Sb4 125.81(15) 13_655 9_565 ?
Zn1 Sb5A Sb4 54.19(15) 5_454 9_565 ?
Zn1 Sb5A Sb4 54.19(15) 13 9_565 ?
Zn1 Sb5A Sb4 125.81(15) 5_554 9_565 ?
Sb4 Sb5A Sb4 84.18(2) 9_665 9_565 ?
Sb4 Sb5A Sb4 95.82(2) . 9_565 ?
Sb5B Sb5A Sb4 47.912(11) 9_665 1_655 ?
Zn1 Sb5A Sb4 54.19(15) 13_655 1_655 ?
Zn1 Sb5A Sb4 125.81(15) 5_454 1_655 ?
Zn1 Sb5A Sb4 125.81(15) 13 1_655 ?
Zn1 Sb5A Sb4 54.19(15) 5_554 1_655 ?
Sb4 Sb5A Sb4 95.82(2) 9_665 1_655 ?
Sb4 Sb5A Sb4 84.18(2) . 1_655 ?
Sb4 Sb5A Sb4 180.0 9_565 1_655 ?
Sb5B Sb5A Dy1 90.0 9_665 14 ?
Zn1 Sb5A Dy1 67.7(3) 13_655 14 ?
Zn1 Sb5A Dy1 112.3(3) 5_454 14 ?
Zn1 Sb5A Dy1 67.7(3) 13 14 ?
Zn1 Sb5A Dy1 112.3(3) 5_554 14 ?
Sb4 Sb5A Dy1 62.214(7) 9_665 14 ?
Sb4 Sb5A Dy1 117.786(7) . 14 ?
Sb4 Sb5A Dy1 62.214(7) 9_565 14 ?
Sb4 Sb5A Dy1 117.786(7) 1_655 14 ?
Sb5B Sb5A Dy1 90.0 9_665 6_554 ?
Zn1 Sb5A Dy1 112.3(3) 13_655 6_554 ?
Zn1 Sb5A Dy1 67.7(3) 5_454 6_554 ?
Zn1 Sb5A Dy1 112.3(3) 13 6_554 ?
Zn1 Sb5A Dy1 67.7(3) 5_554 6_554 ?
Sb4 Sb5A Dy1 117.786(7) 9_665 6_554 ?
Sb4 Sb5A Dy1 62.214(7) . 6_554 ?
Sb4 Sb5A Dy1 117.786(7) 9_565 6_554 ?
Sb4 Sb5A Dy1 62.214(7) 1_655 6_554 ?
Dy1 Sb5A Dy1 180.000(8) 14 6_554 ?
Sb5B Sb5A Dy1 90.0 9_665 5_554 ?
Zn1 Sb5A Dy1 112.3(3) 13_655 5_554 ?
Zn1 Sb5A Dy1 67.7(3) 5_454 5_554 ?
Zn1 Sb5A Dy1 112.3(3) 13 5_554 ?
Zn1 Sb5A Dy1 67.7(3) 5_554 5_554 ?
Sb4 Sb5A Dy1 62.214(7) 9_665 5_554 ?
Sb4 Sb5A Dy1 117.786(7) . 5_554 ?
Sb4 Sb5A Dy1 62.214(7) 9_565 5_554 ?
Sb4 Sb5A Dy1 117.786(7) 1_655 5_554 ?
Dy1 Sb5A Dy1 102.172(15) 14 5_554 ?
Dy1 Sb5A Dy1 77.828(15) 6_554 5_554 ?
Sb5B Sb5B Zn1 144.8(4) 9_665 5_454 ?
Sb5B Sb5B Zn1 144.8(4) 9_665 13 ?
Zn1 Sb5B Zn1 70.5(8) 5_454 13 ?
Sb5B Sb5B Zn1 24.8(3) 9_665 13_655 ?
Zn1 Sb5B Zn1 169.58(13) 5_454 13_655 ?
Zn1 Sb5B Zn1 120.0(7) 13 13_655 ?
Sb5B Sb5B Zn1 24.8(3) 9_665 5_554 ?
Zn1 Sb5B Zn1 120.0(7) 5_454 5_554 ?
Zn1 Sb5B Zn1 169.58(13) 13 5_554 ?
Zn1 Sb5B Zn1 49.6(7) 13_655 5_554 ?
Sb5B Sb5B Sb4 125.55(7) 9_665 . ?
Zn1 Sb5B Sb4 61.65(18) 5_454 . ?
Zn1 Sb5B Sb4 61.65(18) 13 . ?
Zn1 Sb5B Sb4 121.85(11) 13_655 . ?
Zn1 Sb5B Sb4 121.85(11) 5_554 . ?
Sb5B Sb5B Sb4 125.55(7) 9_665 9_565 ?
Zn1 Sb5B Sb4 61.65(18) 5_454 9_565 ?
Zn1 Sb5B Sb4 61.65(18) 13 9_565 ?
Zn1 Sb5B Sb4 121.85(11) 13_655 9_565 ?
Zn1 Sb5B Sb4 121.85(11) 5_554 9_565 ?
Sb4 Sb5B Sb4 108.90(14) . 9_565 ?
Sb5B Sb5B Sb5B 180.0 9_665 9_565 ?
Zn1 Sb5B Sb5B 35.2(4) 5_454 9_565 ?
Zn1 Sb5B Sb5B 35.2(4) 13 9_565 ?
Zn1 Sb5B Sb5B 155.2(3) 13_655 9_565 ?
Zn1 Sb5B Sb5B 155.2(3) 5_554 9_565 ?
Sb4 Sb5B Sb5B 54.45(7) . 9_565 ?
Sb4 Sb5B Sb5B 54.45(7) 9_565 9_565 ?
Sb5B Sb5B Dy1 82.46(7) 9_665 14 ?
Zn1 Sb5B Dy1 123.5(3) 5_454 14 ?
Zn1 Sb5B Dy1 70.3(3) 13 14 ?
Zn1 Sb5B Dy1 63.7(2) 13_655 14 ?
Zn1 Sb5B Dy1 101.8(3) 5_554 14 ?
Sb4 Sb5B Dy1 125.66(7) . 14 ?
Sb4 Sb5B Dy1 64.508(17) 9_565 14 ?
Sb5B Sb5B Dy1 97.54(7) 9_565 14 ?
Sb5B Sb5B Dy1 82.46(7) 9_665 6_554 ?
Zn1 Sb5B Dy1 70.3(3) 5_454 6_554 ?
Zn1 Sb5B Dy1 123.5(3) 13 6_554 ?
Zn1 Sb5B Dy1 101.8(3) 13_655 6_554 ?
Zn1 Sb5B Dy1 63.7(2) 5_554 6_554 ?
Sb4 Sb5B Dy1 64.508(17) . 6_554 ?
Sb4 Sb5B Dy1 125.66(7) 9_565 6_554 ?
Sb5B Sb5B Dy1 97.54(7) 9_565 6_554 ?
Dy1 Sb5B Dy1 164.92(14) 14 6_554 ?
Sb5B Sb5B Dy1 82.46(7) 9_665 5_554 ?
Zn1 Sb5B Dy1 70.3(3) 5_454 5_554 ?
Zn1 Sb5B Dy1 123.5(3) 13 5_554 ?
Zn1 Sb5B Dy1 101.8(3) 13_655 5_554 ?
Zn1 Sb5B Dy1 63.7(2) 5_554 5_554 ?
Sb4 Sb5B Dy1 125.66(7) . 5_554 ?
Sb4 Sb5B Dy1 64.508(17) 9_565 5_554 ?
Sb5B Sb5B Dy1 97.54(7) 9_565 5_554 ?
Dy1 Sb5B Dy1 100.95(3) 14 5_554 ?
Dy1 Sb5B Dy1 77.03(2) 6_554 5_554 ?
Sb5B Sb5B Dy1 82.46(7) 9_665 13 ?
Zn1 Sb5B Dy1 123.5(3) 5_454 13 ?
Zn1 Sb5B Dy1 70.3(3) 13 13 ?
Zn1 Sb5B Dy1 63.7(2) 13_655 13 ?
Zn1 Sb5B Dy1 101.8(3) 5_554 13 ?
Sb4 Sb5B Dy1 64.508(17) . 13 ?
Sb4 Sb5B Dy1 125.66(7) 9_565 13 ?
Sb5B Sb5B Dy1 97.54(7) 9_565 13 ?
Dy1 Sb5B Dy1 77.03(2) 14 13 ?
Dy1 Sb5B Dy1 100.95(3) 6_554 13 ?
Dy1 Sb5B Dy1 164.92(14) 5_554 13 ?
Dy2 Sb6 Dy2 180.0 9 . ?
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
Dy1 Zn2 3.1252(15) . ?
Dy1 Sb3 3.1312(4) 1_455 ?
Dy1 Sb3 3.1312(4) . ?
Dy1 Zn1 3.225(8) 1_455 ?
Dy1 Zn1 3.225(8) . ?
Dy1 Sb1 3.2418(5) 13 ?
Dy1 Sb1 3.2418(5) 13_455 ?
Dy1 Sb5A 3.2645(4) 5_445 ?
Dy1 Sb1 3.2755(7) . ?
Dy1 Sb4 3.2847(4) 13 ?
Dy1 Sb4 3.2847(4) 13_455 ?
Dy1 Sb5B 3.2930(7) 13 ?
Dy2 Sb3 3.1148(7) . ?
Dy2 Sb3 3.1148(7) 1_455 ?
Dy2 Sb1 3.1485(6) . ?
Dy2 Sb1 3.1485(6) 2 ?
Dy2 Sb2 3.1856(7) 14_445 ?
Dy2 Sb2 3.1856(7) 13 ?
Dy2 Sb2 3.1856(7) 13_455 ?
Dy2 Sb2 3.1856(7) 14_545 ?
Dy2 Sb6 3.2880(6) . ?
Zn1 Sb5B 2.004(11) 5_545 ?
Zn1 Sb5B 2.004(11) 13 ?
Zn1 Zn1 2.31(4) 9_656 ?
Zn1 Sb5A 2.370(9) 5_545 ?
Zn1 Sb5A 2.370(9) 5_445 ?
Zn1 Sb3 2.533(18) . ?
Zn1 Sb4 2.566(8) 13 ?
Zn1 Sb4 2.566(8) 5_545 ?
Zn1 Sb5B 2.755(8) 13_655 ?
Zn1 Sb5B 2.755(8) 5_445 ?
Zn1 Dy1 3.225(8) 2 ?
Zn1 Dy1 3.225(8) 1_655 ?
Zn2 Sb2 2.4348(18) 10_556 ?
Zn2 Sb2 2.4348(18) . ?
Zn2 Sb4 2.6035(16) 13_455 ?
Zn2 Sb4 2.6035(16) 13 ?
Zn2 Dy1 3.1252(15) 10_556 ?
Sb1 Sb2 2.9903(7) 13_455 ?
Sb1 Sb2 2.9903(7) 13 ?
Sb1 Sb1 3.0753(8) 13 ?
Sb1 Sb1 3.0753(8) 13_455 ?
Sb1 Dy1 3.2418(5) 13 ?
Sb1 Dy1 3.2418(5) 13_455 ?
Sb2 Sb1 2.9903(7) 13_455 ?
Sb2 Sb1 2.9903(7) 13 ?
Sb2 Dy2 3.1856(7) 13 ?
Sb2 Dy2 3.1856(7) 13_455 ?
Sb3 Dy2 3.1148(7) 1_655 ?
Sb3 Dy1 3.1312(4) 1_655 ?
Sb3 Dy1 3.1312(4) 2 ?
Sb3 Dy1 3.1312(4) 2_655 ?
Sb4 Zn1 2.566(8) 13 ?
Sb4 Zn1 2.566(8) 5_454 ?
Sb4 Zn2 2.6035(16) 13_455 ?
Sb4 Zn2 2.6035(16) 13 ?
Sb4 Sb5B 2.815(3) . ?
Sb4 Sb5B 2.815(3) 9_565 ?
Sb4 Sb5A 3.0863(7) . ?
Sb4 Sb5A 3.0863(7) 1_455 ?
Sb4 Dy1 3.2847(4) 13 ?
Sb4 Dy1 3.2847(4) 6_454 ?
Sb4 Dy1 3.2847(4) 6_554 ?
Sb4 Dy1 3.2847(4) 13_455 ?
Sb5A Sb5B 0.432(4) 9_665 ?
Sb5A Zn1 2.370(9) 13_655 ?
Sb5A Zn1 2.370(9) 5_454 ?
Sb5A Zn1 2.370(9) 13 ?
Sb5A Zn1 2.370(9) 5_554 ?
Sb5A Sb4 3.0863(7) 9_665 ?
Sb5A Sb4 3.0863(7) 9_565 ?
Sb5A Sb4 3.0863(7) 1_655 ?
Sb5A Dy1 3.2645(4) 14 ?
Sb5A Dy1 3.2645(4) 6_554 ?
Sb5A Dy1 3.2645(4) 5_554 ?
Sb5B Sb5B 0.864(8) 9_665 ?
Sb5B Zn1 2.004(11) 5_454 ?
Sb5B Zn1 2.004(11) 13 ?
Sb5B Zn1 2.755(8) 13_655 ?
Sb5B Zn1 2.755(8) 5_554 ?
Sb5B Sb4 2.815(3) 9_565 ?
Sb5B Sb5B 3.273(8) 9_565 ?
Sb5B Dy1 3.2930(7) 14 ?
Sb5B Dy1 3.2930(7) 6_554 ?
Sb5B Dy1 3.2930(7) 5_554 ?
Sb5B Dy1 3.2930(7) 13 ?
Sb6 Dy2 3.2880(6) 9 ?
