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

_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2006). Jana2006.
Structure Determination Software Programs.
Institute of Physics, Praha, Czech Republic.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
Crystal Impact GbR, Bonn, Germany.

Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.

;


#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'I4 O8 Sb4 Zn3.682'
_chemical_formula_weight                 1363.3
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

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

# 6. CRYSTAL DATA

_symmetry_cell_setting                   monoclinic
_space_group_ssg_name                    'P21(\a0\g)0'
loop_
 _space_group_symop_ssg_id
 _space_group_symop_ssg_operation_algebraic
 1   x1,x2,x3,x4
 2   -x1,x2+1/2,-x3,-x4
_cell_length_a                           4.2710(8)
_cell_length_b                           18.508(3)
_cell_length_c                           10.6741(14)
_cell_angle_alpha                        90
_cell_angle_beta                         90.054(13)
_cell_angle_gamma                        90
_cell_volume                             843.8(2)

loop_
 _jana_cell_twin_matrix_id
 _jana_cell_twin_volume_fraction
 _jana_cell_twin_matrix_1_1
 _jana_cell_twin_matrix_1_2
 _jana_cell_twin_matrix_1_3
 _jana_cell_twin_matrix_2_1
 _jana_cell_twin_matrix_2_2
 _jana_cell_twin_matrix_2_3
 _jana_cell_twin_matrix_3_1
 _jana_cell_twin_matrix_3_2
 _jana_cell_twin_matrix_3_3
1 0.856(7)
1 0 0
0 1 0
0 0 1
2 0.144(7)
-1 0 0
0 1 0
0 0 1

_cell_modulation_dimension               1
loop_
 _cell_wave_vector_seq_id
 _cell_wave_vector_x
 _cell_wave_vector_y
 _cell_wave_vector_z
 1  0.227400  0.000000  0.423600
_cell_subsystems_number                  2
loop_
 _cell_subsystem_code
 _cell_subsystem_description
 _cell_subsystem_matrix_W_1_1
 _cell_subsystem_matrix_W_1_2
 _cell_subsystem_matrix_W_1_3
 _cell_subsystem_matrix_W_1_4
 _cell_subsystem_matrix_W_2_1
 _cell_subsystem_matrix_W_2_2
 _cell_subsystem_matrix_W_2_3
 _cell_subsystem_matrix_W_2_4
 _cell_subsystem_matrix_W_3_1
 _cell_subsystem_matrix_W_3_2
 _cell_subsystem_matrix_W_3_3
 _cell_subsystem_matrix_W_3_4
 _cell_subsystem_matrix_W_4_1
 _cell_subsystem_matrix_W_4_2
 _cell_subsystem_matrix_W_4_3
 _cell_subsystem_matrix_W_4_4
  1   '1-st subsystem'
    1 0 0 0
    0 1 0 0
    0 0 1 0
    0 0 0 1
  2   '2-nd subsystem'
    1 0 0 1
    0 1 0 0
    0 0 1 0
    0 0 0 1
_cell_formula_units_Z                    2

_cell_measurement_reflns_used            1987
_cell_measurement_theta_min              2.44
_cell_measurement_theta_max              28.84
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            5.3644
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     1176

_exptl_absorpt_coefficient_mu            18.782
_exptl_crystal_description               ?
_exptl_crystal_size_max                  ?
_exptl_crystal_size_mid                  ?
_exptl_crystal_size_min                  ?
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    ?
_exptl_absorpt_correction_type           'multi-scan'
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min          0.204
_exptl_absorpt_correction_T_max          1

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

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              293
_diffrn_source                           ?
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'Enhance (Mo) X-ray Source'
_diffrn_radiation_wavelength             0.7107
_diffrn_radiation_monochromator          'graphite'
_diffrn_measurement_device               'four-cycle diffractometer'
_diffrn_measurement_device_type          'Xcalibur, Sapphire3'
_diffrn_detector                         ?
_diffrn_detector_area_resol_mean         16.1829
_diffrn_measurement_method               'ω scans'
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    24830
_diffrn_reflns_theta_min                 2.45
_diffrn_reflns_theta_max                 28.88
_diffrn_reflns_theta_full                17.18
_diffrn_measured_fraction_theta_max      0.84
_diffrn_measured_fraction_theta_full     0.98
_diffrn_reflns_av_R_equivalents          0.0701
_diffrn_reflns_av_sigmaI/netI            0.1615
_diffrn_reflns_limit_h_min               -2
_diffrn_reflns_limit_h_max               5
_diffrn_reflns_limit_k_min               -24
_diffrn_reflns_limit_k_max               25
_diffrn_reflns_limit_l_min               -14
_diffrn_reflns_limit_l_max               14
_diffrn_reflns_limit_index_m_1_min       -2
_diffrn_reflns_limit_index_m_1_max       2
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

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

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     16749
_reflns_number_gt                        4073
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         F
_refine_ls_R_factor_gt                   0.0729
_refine_ls_wR_factor_gt                  0.0711
_refine_ls_R_factor_all                  0.2432
_refine_ls_wR_factor_ref                 0.1082
_refine_ls_goodness_of_fit_ref           1.12
_refine_ls_goodness_of_fit_gt            1.51
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 16749
_refine_ls_number_parameters             361
_refine_ls_number_restraints             0
_refine_ls_number_constraints            9
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(F)+0.0001F²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0497
_refine_ls_shift/su_mean                 0.0097
_refine_diff_density_max                 4.23
_refine_diff_density_min                 -4.84
_refine_ls_extinction_method             'none'
_refine_ls_extinction_coef               ?
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 I  -0.4742  1.8119
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O   0.0106  0.0060
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Sb -0.5866  1.5461
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Zn  0.2839  1.4301
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

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

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
 _atom_site_subsystem_code
  I1 I 1.0018(5) 0.2089(2) 0.14185(18) Uani 0.0275(7) 2 1 d . . . 1
  I2 I 0.4945(6) -0.1369(2) -0.3674(2) Uani 0.0316(7) 2 1 d . . . 1
  Sb1 Sb 0.5017(6) 0.055143 0.04537(18) Uani 0.0287(7) 2 1 d . . . 1
  I3 I 0.4959(4) 0.3379(2) -0.13095(19) Uani 0.0233(6) 2 1 d . . . 1
  Sb2 Sb 1.0095(5) -0.0557(2) -0.12595(18) Uani 0.0252(7) 2 1 d . . . 1
  I4 I 1.0015(5) -0.0056(2) -0.64147(18) Uani 0.0291(7) 2 1 d . . . 1
  Sb3 Sb 0.4995(6) 0.15087(9) -0.53831(17) Uani 0.0281(7) 2 1 d . . . 1
  Sb4 Sb 0.0093(5) 0.2613(2) -0.37095(18) Uani 0.0221(6) 2 1 d . . . 1
  O1 O 0.975(4) 0.0138(10) -0.2651(14) Uiso 0.0174(11) 2 1 d . . . 1
  O2 O 0.494(4) 0.0782(10) -0.3981(14) Uiso 0.0174(11) 2 1 d . . . 1
  O3 O -0.018(4) 0.1920(10) -0.2293(14) Uiso 0.0174(11) 2 1 d . . . 1
  O4 O 1.030(4) 0.0203(9) -0.0053(13) Uiso 0.0174(11) 2 1 d . . . 1
  O5 O 0.509(5) -0.0224(11) -0.0819(17) Uiso 0.0174(11) 2 0.807(18) d . . . 1
  O6 O 0.018(5) 0.1704(11) -0.4938(16) Uiso 0.0174(11) 2 0.883(18) d . . . 1
  O7 O 0.499(4) 0.2274(9) -0.3999(14) Uiso 0.0174(11) 2 1 d . . . 1
  O8 O 0.472(4) 0.1269(10) -0.0840(14) Uiso 0.0174(11) 2 1 d . . . 1
  Zn1 Zn 0.0821(11) 0.2157(3) -0.0741(3) Uani 0.0224(11) 2 1 d . . . 2
  Zn2 Zn 0.5051(16) 0.1024(3) -0.2479(4) Uani 0.0221(7) 2 1 d . . . 2
  Zn3 Zn 0.9197(12) -0.0088(3) -0.4191(3) Uani 0.0301(13) 2 1 d . . . 2



loop_
 _atom_site_Fourier_wave_vector_seq_id
 _jana_atom_site_Fourier_wave_vector_q1_coeff
    1    1
    2    2

loop_
 _jana_atom_site_crenel_ortho_func_id
 _jana_atom_site_crenel_ortho_func_c
 _jana_atom_site_crenel_ortho_func_w
 _jana_atom_site_crenel_ortho_func_eps
 ? ? ? ?

loop_
 _atom_site_occ_Fourier_atom_site_label
 _atom_site_occ_Fourier_wave_vector_seq_id
 _atom_site_occ_Fourier_param_cos
 _atom_site_occ_Fourier_param_sin
 O5     1  -0.11(4)             0.14(4)
 O5     2  -0.01(4)            -0.06(4)
 O6     1   0.07(4)             0.03(4)
 O6     2   0.09(4)            -0.01(5)

loop_
_jana_atom_site_occ_Legendre_atom_site_label
_jana_atom_site_occ_Legendre_param_order
_jana_atom_site_occ_Legendre_param_coeff
 ? ? ?

loop_
_jana_atom_site_occ_crenel_ortho_atom_site_label
_jana_atom_site_occ_crenel_ortho_param_order
_jana_atom_site_occ_crenel_ortho_id
_jana_atom_site_occ_crenel_ortho_param_coeff
 ? ? ? ?

loop_
_atom_site_occ_special_func_atom_site_label
_atom_site_occ_special_func_crenel_c
_atom_site_occ_special_func_crenel_w
 ? ? ?

loop_
 _atom_site_displace_Fourier_atom_site_label
 _atom_site_displace_Fourier_axis
 _atom_site_displace_Fourier_wave_vector_seq_id
 _atom_site_displace_Fourier_param_cos
 _atom_site_displace_Fourier_param_sin
 I1   x  1    -0.0331(6)        0.0124(7)
 I1   y  1     0.00051(19)     -0.00340(18)
 I1   z  1     0.0100(2)        0.0210(2)
 I1   x  2    -0.0016(7)       -0.0025(7)
 I1   y  2    -0.00043(18)      0.00126(18)
 I1   z  2    -0.0010(3)        0.0012(2)
 I2   x  1    -0.0083(7)       -0.0443(8)
 I2   y  1     0.00994(17)     -0.00459(16)
 I2   z  1    -0.0102(3)        0.0045(3)
 I2   x  2    -0.0044(8)       -0.0070(8)
 I2   y  2    -0.00065(18)      0.00044(18)
 I2   z  2    -0.0014(3)        0.0039(3)
 Sb1  x  1     0.0102           0.0016(8)
 Sb1  y  1     0.00520(18)      0.00362(17)
 Sb1  z  1     0.0163(3)        0.0123(3)
 Sb1  x  2     0.0106(7)       -0.0029(7)
 Sb1  y  2     0.00113(18)      0.00036(18)
 Sb1  z  2    -0.0011(3)        0.0081(3)
 I3   x  1     0.0155(6)       -0.0484(6)
 I3   y  1    -0.01003(18)     -0.00529(16)
 I3   z  1     0.0112(3)        0.0056(3)
 I3   x  2    -0.0005(6)        0.0050(6)
 I3   y  2     0.00083(17)      0.00162(17)
 I3   z  2     0.0006(3)        0.0043(3)
 Sb2  x  1    -0.0052(7)       -0.0339(8)
 Sb2  y  1     0.00475(16)      0.00203(16)
 Sb2  z  1     0.0046(2)        0.0036(2)
 Sb2  x  2     0.0066(7)        0.0043(7)
 Sb2  y  2    -0.00255(16)      0.00019(16)
 Sb2  z  2    -0.0004(2)        0.0017(2)
 I4   x  1     0.0315(7)        0.0081(7)
 I4   y  1    -0.00113(19)     -0.00390(19)
 I4   z  1    -0.0121(2)        0.0222(2)
 I4   x  2    -0.0080(7)        0.0009(7)
 I4   y  2     0.00033(18)      0.00181(18)
 I4   z  2     0.0017(3)        0.0018(2)
 Sb3  x  1    -0.0033(6)        0.0071(8)
 Sb3  y  1    -0.00222(17)      0.00125(16)
 Sb3  z  1    -0.0090(2)        0.0071(2)
 Sb3  x  2    -0.0009(8)        0.0061(7)
 Sb3  y  2     0.00016(17)     -0.00035(17)
 Sb3  z  2    -0.0002(2)        0.0029(2)
 Sb4  x  1    -0.0351(7)       -0.0163(7)
 Sb4  y  1    -0.00685(17)      0.00295(16)
 Sb4  z  1    -0.0060(2)        0.0015(2)
 Sb4  x  2     0.0126(7)       -0.0193(7)
 Sb4  y  2     0.00043(17)     -0.00322(16)
 Sb4  z  2    -0.0022(2)        0.0000(2)
 O1   x  1    -0.002(6)        -0.064(6)
 O1   y  1     0.0155(14)      -0.0013(15)
 O1   z  1     0.016(2)        -0.004(2)
 O1   x  2    -0.025(7)        -0.075(6)
 O1   y  2    -0.0025(16)      -0.0035(15)
 O1   z  2     0.003(2)         0.005(2)
 O2   x  1    -0.010(5)        -0.030(6)
 O2   y  1    -0.0087(14)       0.0069(13)
 O2   z  1    -0.0195(19)       0.0128(19)
 O2   x  2    -0.024(6)        -0.028(6)
 O2   y  2     0.0044(15)      -0.0020(15)
 O2   z  2     0.000(2)         0.003(2)
 O3   x  1     0.009(5)        -0.008(5)
 O3   y  1    -0.0100(13)      -0.0009(13)
 O3   z  1    -0.018(2)         0.0015(19)
 O3   x  2    -0.005(6)        -0.019(6)
 O3   y  2    -0.0012(15)       0.0045(15)
 O3   z  2    -0.008(2)        -0.001(2)
 O4   x  1     0.047(5)        -0.028(5)
 O4   y  1    -0.0051(12)       0.0070(12)
 O4   z  1     0.0113(18)       0.0081(18)
 O4   x  2     0.008(6)        -0.017(6)
 O4   y  2    -0.0037(14)       0.0021(14)
 O4   z  2     0.004(2)         0.006(2)
 O5   x  1     0.024(7)        -0.001(7)
 O5   y  1     0.0039(16)      -0.0066(15)
 O5   z  1     0.016(2)        -0.011(2)
 O5   x  2     0.031(7)         0.009(7)
 O5   y  2    -0.0009(17)      -0.0019(18)
 O5   z  2     0.002(3)         0.013(3)
 O6   x  1     0.048(6)         0.001(7)
 O6   y  1    -0.0011(13)      -0.0014(15)
 O6   z  1    -0.020(2)         0.013(2)
 O6   x  2    -0.025(7)        -0.040(7)
 O6   y  2     0.0029(16)       0.0019(16)
 O6   z  2     0.005(3)         0.008(2)
 O7   x  1     0.005(5)        -0.042(5)
 O7   y  1    -0.0099(14)       0.0086(13)
 O7   z  1    -0.0017(18)       0.0065(18)
 O7   x  2    -0.002(6)        -0.002(6)
 O7   y  2     0.0095(14)      -0.0054(15)
 O7   z  2    -0.005(2)         0.003(2)
 O8   x  1     0.040(5)        -0.024(6)
 O8   y  1     0.0078(14)       0.0010(13)
 O8   z  1     0.0207(18)       0.0122(19)
 O8   x  2     0.011(6)        -0.013(6)
 O8   y  2    -0.0011(15)      -0.0018(14)
 O8   z  2     0.001(2)         0.003(2)
 Zn1  x  1     0.0084(15)      -0.0230(13)
 Zn1  y  1    -0.0047(3)       -0.0018(3)
 Zn1  z  1     0.0022(4)        0.0005(4)
 Zn1  x  2     0.0681(16)      -0.0257(18)
 Zn1  y  2    -0.0008(3)        0.0006(3)
 Zn1  z  2     0.0059(4)        0.0078(4)
 Zn2  x  1    -0.001(2)        -0.0093(8)
 Zn2  y  1    -0.0001(3)       -0.00070(16)
 Zn2  z  1    -0.0050(5)       -0.0006(2)
 Zn2  x  2     0.009(3)        -0.0812(11)
 Zn2  y  2     0.0000(4)       -0.00052(19)
 Zn2  z  2     0.0028(5)        0.0010(3)
 Zn3  x  1    -0.0149(17)       0.0084(15)
 Zn3  y  1     0.0070(3)       -0.0054(2)
 Zn3  z  1    -0.0106(3)        0.0079(4)
 Zn3  x  2    -0.039(2)        -0.044(2)
 Zn3  y  2     0.0008(3)       -0.0022(3)
 Zn3  z  2     0.0022(4)       -0.0027(4)

loop_
_jana_atom_site_displace_Legendre_atom_site_label
_jana_atom_site_displace_Legendre_axis
_jana_atom_site_displace_Legendre_param_order
_jana_atom_site_displace_Legendre_param_coeff
 ? ? ? ?

loop_
_jana_atom_site_displace_crenel_ortho_atom_site_label
_jana_atom_site_displace_crenel_ortho_axis
_jana_atom_site_displace_crenel_ortho_id
_jana_atom_site_displace_crenel_ortho_param_order
_jana_atom_site_displace_crenel_ortho_param_coeff
 ? ? ? ? ?

loop_
_atom_site_displace_special_func_atom_site_label
_atom_site_displace_special_func_sawtooth_ax
_atom_site_displace_special_func_sawtooth_ay
_atom_site_displace_special_func_sawtooth_az
_atom_site_displace_special_func_sawtooth_c
_atom_site_displace_special_func_sawtooth_w
 ? ? ? ? ? ?

loop_
_atom_site_U_Fourier_atom_site_label
_atom_site_U_Fourier_tens_elem
_atom_site_U_Fourier_wave_vector_seq_id
_atom_site_U_Fourier_param_cos
_atom_site_U_Fourier_param_sin
 ? ? ? ? ?

loop_
_jana_atom_site_U_Legendre_atom_site_label
_jana_atom_site_U_Legendre_tens_elem
_jana_atom_site_U_Legendre_param_order
_jana_atom_site_U_Legendre_param_coeff
 ? ? ? ?

loop_
_jana_atom_site_U_crenel_ortho_atom_site_label
_jana_atom_site_U_crenel_ortho_tens_elem
_jana_atom_site_U_crenel_ortho_id
_jana_atom_site_U_crenel_ortho_param_order
_jana_atom_site_U_crenel_ortho_param_coeff
 ? ? ? ? ?


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

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_ssg_symmetry_1
 _geom_bond_site_ssg_symmetry_2
 _geom_bond_distance_av
 _geom_bond_distance_min
 _geom_bond_distance_max
 _geom_bond_publ_flag
  I1 Zn1 . 1_6555 325.2(16) 2.546(13) 4.43(2) ?
  I1 Zn1 . 1_7555 285.7(14) 2.442(10) 3.95(2) ?
  I2 Zn3 . . 265.9(14) 2.508(13) 2.921(16) ?
  I2 Zn3 . 1_6555 436(3) 2.775(15) 5.65(4) ?
  Sb1 O5 . . 2.00(6) 1.68(6) 2.22(6) ?
  Sb1 O8 . . 1.92(5) 1.87(5) 1.98(5) ?
  I3 Zn1 . . 431(2) 2.677(15) 5.64(3) ?
  I3 Zn1 . 1_6555 257.4(14) 2.464(14) 2.677(15) ?
  I3 Zn1 . 1_7555 436(2) 2.646(15) 5.62(3) ?
  Sb2 O1 . . 1.99(5) 1.86(5) 2.11(5) ?
  Sb2 O4 . . 1.92(5) 1.78(5) 2.00(5) ?
  Sb2 O5 . . 2.27(7) 1.95(6) 2.53(6) ?
  I4 Zn3 . . 335.2(17) 2.579(13) 4.58(3) ?
  I4 Zn3 . 1_6555 290.9(14) 2.494(12) 3.95(2) ?
  Sb3 O2 . . 2.02(5) 1.97(5) 2.07(5) ?
  Sb3 O6 . . 2.13(6) 1.77(6) 2.57(6) ?
  Sb3 O6 . 1_6555 2.31(6) 1.98(6) 2.57(6) ?
  Sb3 O7 . . 2.05(5) 1.84(5) 2.25(5) ?
  Sb4 O3 . . 2.00(5) 1.88(5) 2.13(5) ?
  Sb4 O6 . . 2.16(6) 1.99(6) 2.31(6) ?
  Sb4 O7 . 1_4555 2.30(5) 2.02(5) 2.65(5) ?
  Sb4 O7 . . 2.21(5) 1.97(5) 2.45(5) ?
  O1 Zn2 . 1_6555 204(6) 1.90(6) 2.27(6) ?
  O1 Zn3 . . 280(6) 1.85(5) 4.08(6) ?
  O1 Zn3 . 1_6555 246(5) 1.89(5) 4.16(6) ?
  O2 Zn2 . . 259(5) 1.80(5) 3.90(6) ?
  O2 Zn2 . 1_6555 262(5) 1.92(5) 3.84(6) ?
  O2 Zn3 . . 203(6) 1.90(6) 2.09(6) ?
  O2 Zn3 . 1_6555 390(6) 2.04(6) 5.56(6) ?
  O3 Zn1 . . 237(5) 1.83(5) 3.67(5) ?
  O3 Zn1 . 1_6555 288(5) 1.90(5) 4.07(5) ?
  O3 Zn2 . 1_4555 352(6) 1.84(5) 5.34(6) ?
  O3 Zn2 . . 202(6) 1.83(6) 2.53(6) ?
  O8 Zn1 . . 386(6) 2.05(6) 5.48(6) ?
  O8 Zn1 . 1_6555 200(6) 1.87(6) 2.11(6) ?
  O8 Zn2 . . 263(5) 1.86(5) 3.90(6) ?
  O8 Zn2 . 1_6555 277(5) 2.04(5) 3.95(6) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_ssg_symmetry_1
 _geom_angle_site_ssg_symmetry_2
 _geom_angle_site_ssg_symmetry_3
 _geom_angle_av
 _geom_angle_min
 _geom_angle_max
 _geom_angle_publ_flag
 ? ? ? ? ? ? ? ? ? ?

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_ssg_symmetry_1
 _geom_torsion_site_ssg_symmetry_2
 _geom_torsion_site_ssg_symmetry_3
 _geom_torsion_site_ssg_symmetry_4
 _geom_torsion_av
 _geom_torsion_min
 _geom_torsion_max
 ? ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


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

# 11. STRUCTURE-FACTOR LIST


