#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/82/2008278.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2008278
loop_
_publ_author_name
'Friede, Bernd'
'Jansen, Martin'
_publ_section_title
;
 Cs₆Sn₂Te₆, a new telluridodistannate(III)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              282
_journal_page_last               284
_journal_paper_doi               10.1107/S0108270198014681
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Cs6 Sn2 Te6'
_chemical_formula_weight         1800.44
_chemical_name_common            Hexacesium-hexatellurodistannate(III)
_chemical_name_systematic        Hexacesium-hexatellurodistannate(III)
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.73(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.460(4)
_cell_length_b                   14.330(3)
_cell_length_c                   10.250(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      24.9
_cell_measurement_theta_min      18.5
_cell_volume                     2546.9(9)
_computing_cell_refinement       'CELDIM in CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'CADSHEL  in CAD-4 Software'
_computing_molecular_graphics    'DIAMOND (Crystal Impact, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997b)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'variable ω/2θ 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  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5472
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  '60 min'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    17.128
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.51
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   'North et al., 1968'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             2968
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         '1.345 (0.76 \%A from Cs4)'
_refine_diff_density_min         -0.943
_refine_ls_extinction_coef       0.00095(3)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997a)'
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         2245
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0265
_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)+(0.0203P)²+9.9534P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0613
_reflns_number_gt                1957
_reflns_number_total             2245
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ln1072.cif
_cod_data_source_block           ln1072
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2008278
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Sn1 0.32367(3) 0.24149(3) 0.95419(5) 0.01064(14) Uani d . 1 . . Sn
Te1 0.18711(3) 0.23262(4) 1.31347(5) 0.01534(14) Uani d . 1 . . Te
Te2 0.07858(3) 0.12969(4) 0.92296(5) 0.01782(14) Uani d . 1 . . Te
Te3 0.38101(3) 0.06713(3) 1.02176(5) 0.01704(14) Uani d . 1 . . Te
Cs1 0.5 0.10687(5) 0.75 0.02079(17) Uani d S 1 . . Cs
Cs2 0 -0.08656(5) 0.75 0.01895(17) Uani d S 1 . . Cs
Cs3 0.40693(3) 0.18995(4) 1.36699(5) 0.02165(15) Uani d . 1 . . Cs
Cs4 0.21559(3) -0.02746(4) 1.18407(6) 0.03128(16) Uani d . 1 . . Cs
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Te2 Sn1 Te3 7_557 . 108.05(3) yes
Te2 Sn1 Te1 7_557 7_557 109.62(3) yes
Te3 Sn1 Te1 . 7_557 110.72(2) yes
Te2 Sn1 Sn1 7_557 7_557 109.32(3) yes
Te3 Sn1 Sn1 . 7_557 108.11(3) yes
Te1 Sn1 Sn1 7_557 7_557 110.96(4) yes
Te2 Sn1 Cs4 7_557 7_557 65.12(2) ?
Te3 Sn1 Cs4 . 7_557 166.83(2) ?
Te1 Sn1 Cs4 7_557 7_557 63.897(17) ?
Sn1 Sn1 Cs4 7_557 7_557 85.02(2) ?
Te2 Sn1 Cs1 7_557 . 94.72(2) ?
Te3 Sn1 Cs1 . . 57.542(17) ?
Te1 Sn1 Cs1 7_557 . 63.38(2) ?
Sn1 Sn1 Cs1 7_557 . 155.42(3) ?
Cs4 Sn1 Cs1 7_557 . 110.593(18) ?
Te2 Sn1 Cs3 7_557 . 63.09(2) ?
Te3 Sn1 Cs3 . . 62.155(17) ?
Te1 Sn1 Cs3 7_557 . 164.42(2) ?
Sn1 Sn1 Cs3 7_557 . 84.62(3) ?
Cs4 Sn1 Cs3 7_557 . 119.644(16) ?
Cs1 Sn1 Cs3 . . 102.47(2) ?
Te2 Sn1 Cs4 7_557 6 164.26(2) ?
Te3 Sn1 Cs4 . 6 69.04(3) ?
Te1 Sn1 Cs4 7_557 6 59.55(2) ?
Sn1 Sn1 Cs4 7_557 6 85.98(3) ?
Cs4 Sn1 Cs4 7_557 6 114.22(2) ?
Cs1 Sn1 Cs4 . 6 70.461(18) ?
Cs3 Sn1 Cs4 . 6 124.05(2) ?
Sn1 Te1 Cs4 7_557 4_557 82.19(2) ?
Sn1 Te1 Cs3 7_557 . 96.53(3) ?
Cs4 Te1 Cs3 4_557 . 73.069(17) ?
Sn1 Te1 Cs2 7_557 5_557 86.99(3) ?
Cs4 Te1 Cs2 4_557 5_557 148.296(19) ?
Cs3 Te1 Cs2 . 5_557 138.04(2) ?
Sn1 Te1 Cs1 7_557 7_557 78.49(3) ?
Cs4 Te1 Cs1 4_557 7_557 80.66(2) ?
Cs3 Te1 Cs1 . 7_557 153.701(18) ?
Cs2 Te1 Cs1 5_557 7_557 67.98(2) ?
Sn1 Te1 Cs3 7_557 7_558 142.56(2) ?
Cs4 Te1 Cs3 4_557 7_558 88.27(2) ?
Cs3 Te1 Cs3 . 7_558 115.17(3) ?
Cs2 Te1 Cs3 5_557 7_558 82.41(2) ?
Cs1 Te1 Cs3 7_557 7_558 64.23(2) ?
Sn1 Te1 Cs4 7_557 . 78.000(19) ?
Cs4 Te1 Cs4 4_557 . 139.848(17) ?
Cs3 Te1 Cs4 . . 74.924(18) ?
Cs2 Te1 Cs4 5_557 . 64.934(18) ?
Cs1 Te1 Cs4 7_557 . 127.87(2) ?
Cs3 Te1 Cs4 7_558 . 127.556(17) ?
Sn1 Te2 Cs2 7_557 . 162.66(2) ?
Sn1 Te2 Cs2 7_557 5_557 88.51(2) ?
Cs2 Te2 Cs2 . 5_557 97.589(17) ?
Sn1 Te2 Cs4 7_557 6 98.49(2) ?
Cs2 Te2 Cs4 . 6 67.072(15) ?
Cs2 Te2 Cs4 5_557 6 143.10(2) ?
Sn1 Te2 Cs3 7_557 8_455 92.72(3) ?
Cs2 Te2 Cs3 . 8_455 104.05(2) ?
Cs2 Te2 Cs3 5_557 8_455 83.61(2) ?
Cs4 Te2 Cs3 6 8_455 131.69(2) ?
Sn1 Te2 Cs3 7_557 7_557 79.23(3) ?
Cs2 Te2 Cs3 . 7_557 103.65(2) ?
Cs2 Te2 Cs3 5_557 7_557 145.465(19) ?
Cs4 Te2 Cs3 6 7_557 71.17(2) ?
Cs3 Te2 Cs3 8_455 7_557 65.09(2) ?
Sn1 Te2 Cs4 7_557 . 77.40(3) ?
Cs2 Te2 Cs4 . . 90.45(3) ?
Cs2 Te2 Cs4 5_557 . 64.894(18) ?
Cs4 Te2 Cs4 6 . 81.267(19) ?
Cs3 Te2 Cs4 8_455 . 146.945(19) ?
Cs3 Te2 Cs4 7_557 . 140.456(19) ?
Sn1 Te3 Cs1 . . 83.73(2) ?
Sn1 Te3 Cs4 . . 99.41(2) ?
Cs1 Te3 Cs4 . . 156.45(2) ?
Sn1 Te3 Cs1 . 5_657 153.47(2) ?
Cs1 Te3 Cs1 . 5_657 104.216(18) ?
Cs4 Te3 Cs1 . 5_657 83.42(2) ?
Sn1 Te3 Cs3 . . 79.63(2) ?
Cs1 Te3 Cs3 . . 126.29(2) ?
Cs4 Te3 Cs3 . . 77.05(3) ?
Cs1 Te3 Cs3 5_657 . 75.30(2) ?
Sn1 Te3 Cs3 . 6 141.31(2) ?
Cs1 Te3 Cs3 . 6 75.393(18) ?
Cs4 Te3 Cs3 . 6 88.41(2) ?
Cs1 Te3 Cs3 5_657 6 64.74(2) ?
Cs3 Te3 Cs3 . 6 138.786(17) ?
Sn1 Te3 Cs3 . 2_657 88.31(2) ?
Cs1 Te3 Cs3 . 2_657 65.15(2) ?
Cs4 Te3 Cs3 . 2_657 137.91(2) ?
Cs1 Te3 Cs3 5_657 2_657 72.94(2) ?
Cs3 Te3 Cs3 . 2_657 63.67(3) ?
Cs3 Te3 Cs3 6 2_657 110.905(18) ?
Sn1 Te3 Cs4 . 6 74.08(2) ?
Cs1 Te3 Cs4 . 6 78.30(2) ?
Cs4 Te3 Cs4 . 6 80.15(2) ?
Cs1 Te3 Cs4 5_657 6 132.04(2) ?
Cs3 Te3 Cs4 . 6 141.580(19) ?
Cs3 Te3 Cs4 6 6 70.043(14) ?
Cs3 Te3 Cs4 2_657 6 140.99(2) ?
Te3 Cs1 Te3 . 2_656 162.33(3) ?
Te3 Cs1 Te3 . 6 92.693(19) ?
Te3 Cs1 Te3 2_656 6 75.784(18) ?
Te3 Cs1 Te3 . 5_657 75.784(18) ?
Te3 Cs1 Te3 2_656 5_657 92.693(19) ?
Te3 Cs1 Te3 6 5_657 99.42(3) ?
Te3 Cs1 Te1 . 8 119.11(2) ?
Te3 Cs1 Te1 2_656 8 71.98(2) ?
Te3 Cs1 Te1 6 8 147.694(15) ?
Te3 Cs1 Te1 5_657 8 84.32(2) ?
Te3 Cs1 Te1 . 7_557 71.98(2) ?
Te3 Cs1 Te1 2_656 7_557 119.11(2) ?
Te3 Cs1 Te1 6 7_557 84.32(2) ?
Te3 Cs1 Te1 5_657 7_557 147.694(15) ?
Te1 Cs1 Te1 8 7_557 109.51(3) ?
Te3 Cs1 Cs3 . 2_657 62.311(18) ?
Te3 Cs1 Cs3 2_656 2_657 123.429(18) ?
Te3 Cs1 Cs3 6 2_657 149.79(2) ?
Te3 Cs1 Cs3 5_657 2_657 59.93(2) ?
Te1 Cs1 Cs3 8 2_657 57.92(2) ?
Te1 Cs1 Cs3 7_557 2_657 101.94(3) ?
Te3 Cs1 Cs3 . 1_554 123.429(18) ?
Te3 Cs1 Cs3 2_656 1_554 62.311(18) ?
Te3 Cs1 Cs3 6 1_554 59.93(2) ?
Te3 Cs1 Cs3 5_657 1_554 149.793(19) ?
Te1 Cs1 Cs3 8 1_554 101.94(3) ?
Te1 Cs1 Cs3 7_557 1_554 57.92(2) ?
Cs3 Cs1 Cs3 2_657 1_554 147.38(3) ?
Te3 Cs1 Sn1 . . 38.728(16) ?
Te3 Cs1 Sn1 2_656 . 156.31(2) ?
Te3 Cs1 Sn1 6 . 102.495(17) ?
Te3 Cs1 Sn1 5_657 . 110.773(17) ?
Te1 Cs1 Sn1 8 . 106.09(2) ?
Te1 Cs1 Sn1 7_557 . 38.129(14) ?
Cs3 Cs1 Sn1 2_657 . 69.36(2) ?
Cs3 Cs1 Sn1 1_554 . 96.00(2) ?
Te3 Cs1 Sn1 . 2_656 156.31(2) ?
Te3 Cs1 Sn1 2_656 2_656 38.728(16) ?
Te3 Cs1 Sn1 6 2_656 110.773(17) ?
Te3 Cs1 Sn1 5_657 2_656 102.495(17) ?
Te1 Cs1 Sn1 8 2_656 38.129(14) ?
Te1 Cs1 Sn1 7_557 2_656 106.09(2) ?
Cs3 Cs1 Sn1 2_657 2_656 96.00(2) ?
Cs3 Cs1 Sn1 1_554 2_656 69.36(2) ?
Sn1 Cs1 Sn1 . 2_656 127.60(3) ?
Te3 Cs1 Cs2 . 3 98.833(14) ?
Te3 Cs1 Cs2 2_656 3 98.833(14) ?
Te3 Cs1 Cs2 6 3 130.290(16) ?
Te3 Cs1 Cs2 5_657 3 130.290(16) ?
Te1 Cs1 Cs2 8 3 54.757(14) ?
Te1 Cs1 Cs2 7_557 3 54.757(14) ?
Cs3 Cs1 Cs2 2_657 3 73.691(13) ?
Cs3 Cs1 Cs2 1_554 3 73.691(13) ?
Sn1 Cs1 Cs2 . 3 63.799(13) ?
Sn1 Cs1 Cs2 2_656 3 63.799(13) ?
Te3 Cs1 Cs3 . 6 55.625(13) ?
Te3 Cs1 Cs3 2_656 6 106.86(2) ?
Te3 Cs1 Cs3 6 6 53.061(17) ?
Te3 Cs1 Cs3 5_657 6 56.256(18) ?
Te1 Cs1 Cs3 8 6 140.579(16) ?
Te1 Cs1 Cs3 7_557 6 105.038(17) ?
Cs3 Cs1 Cs3 2_657 6 97.057(15) ?
Cs3 Cs1 Cs3 1_554 6 112.293(18) ?
Sn1 Cs1 Cs3 . 6 89.618(18) ?
Sn1 Cs1 Cs3 2_656 6 142.775(16) ?
Cs2 Cs1 Cs3 3 6 153.403(10) ?
Te2 Cs2 Te2 . 2_556 68.52(3) ?
Te2 Cs2 Te2 . 5_557 82.411(17) ?
Te2 Cs2 Te2 2_556 5_557 113.555(18) ?
Te2 Cs2 Te2 . 6 113.555(18) ?
Te2 Cs2 Te2 2_556 6 82.411(17) ?
Te2 Cs2 Te2 5_557 6 161.37(3) ?
Te2 Cs2 Te1 . 5_557 141.385(17) ?
Te2 Cs2 Te1 2_556 5_557 96.46(2) ?
Te2 Cs2 Te1 5_557 5_557 71.15(2) ?
Te2 Cs2 Te1 6 5_557 98.51(3) ?
Te2 Cs2 Te1 . 6 96.46(2) ?
Te2 Cs2 Te1 2_556 6 141.385(17) ?
Te2 Cs2 Te1 5_557 6 98.51(2) ?
Te2 Cs2 Te1 6 6 71.15(2) ?
Te1 Cs2 Te1 5_557 6 114.53(3) ?
Te2 Cs2 Cs4 . 6 58.203(18) ?
Te2 Cs2 Cs4 2_556 6 83.59(2) ?
Te2 Cs2 Cs4 5_557 6 128.38(2) ?
Te2 Cs2 Cs4 6 6 60.28(2) ?
Te1 Cs2 Cs4 5_557 6 158.671(14) ?
Te1 Cs2 Cs4 6 6 59.089(17) ?
Te2 Cs2 Cs4 . 5_557 83.59(2) ?
Te2 Cs2 Cs4 2_556 5_557 58.203(18) ?
Te2 Cs2 Cs4 5_557 5_557 60.28(2) ?
Te2 Cs2 Cs4 6 5_557 128.38(2) ?
Te1 Cs2 Cs4 5_557 5_557 59.089(17) ?
Te1 Cs2 Cs4 6 5_557 158.671(14) ?
Cs4 Cs2 Cs4 6 5_557 134.55(3) ?
Te2 Cs2 Cs1 . 3_445 145.740(14) ?
Te2 Cs2 Cs1 2_556 3_445 145.740(14) ?
Te2 Cs2 Cs1 5_557 3_445 80.685(13) ?
Te2 Cs2 Cs1 6 3_445 80.685(13) ?
Te1 Cs2 Cs1 5_557 3_445 57.263(14) ?
Te1 Cs2 Cs1 6 3_445 57.263(14) ?
Cs4 Cs2 Cs1 6 3_445 112.724(13) ?
Cs4 Cs2 Cs1 5_557 3_445 112.724(13) ?
Te2 Cs2 Cs3 . 3_444 159.156(14) ?
Te2 Cs2 Cs3 2_556 3_444 95.04(2) ?
Te2 Cs2 Cs3 5_557 3_444 116.894(19) ?
Te2 Cs2 Cs3 6 3_444 49.264(14) ?
Te1 Cs2 Cs3 5_557 3_444 49.79(2) ?
Te1 Cs2 Cs3 6 3_444 88.66(3) ?
Cs4 Cs2 Cs3 6 3_444 108.90(2) ?
Cs4 Cs2 Cs3 5_557 3_444 98.86(2) ?
Cs1 Cs2 Cs3 3_445 3_444 51.795(13) ?
Te2 Cs2 Cs3 . 4_547 95.04(2) ?
Te2 Cs2 Cs3 2_556 4_547 159.156(14) ?
Te2 Cs2 Cs3 5_557 4_547 49.264(14) ?
Te2 Cs2 Cs3 6 4_547 116.894(19) ?
Te1 Cs2 Cs3 5_557 4_547 88.67(3) ?
Te1 Cs2 Cs3 6 4_547 49.79(2) ?
Cs4 Cs2 Cs3 6 4_547 98.86(2) ?
Cs4 Cs2 Cs3 5_557 4_547 108.90(2) ?
Cs1 Cs2 Cs3 3_445 4_547 51.795(12) ?
Cs3 Cs2 Cs3 3_444 4_547 103.59(3) ?
Te2 Cs2 Cs4 . . 47.008(12) ?
Te2 Cs2 Cs4 2_556 . 115.43(2) ?
Te2 Cs2 Cs4 5_557 . 66.444(18) ?
Te2 Cs2 Cs4 6 . 116.685(18) ?
Te1 Cs2 Cs4 5_557 . 134.239(19) ?
Te1 Cs2 Cs4 6 . 57.827(19) ?
Cs4 Cs2 Cs4 6 . 62.36(2) ?
Cs4 Cs2 Cs4 5_557 . 110.24(2) ?
Cs1 Cs2 Cs4 3_445 . 98.784(10) ?
Cs3 Cs2 Cs4 3_444 . 145.676(16) ?
Cs3 Cs2 Cs4 4_547 . 50.434(16) ?
Te1 Cs3 Te3 . . 86.29(3) ?
Te1 Cs3 Te2 . 8_556 129.93(2) ?
Te3 Cs3 Te2 . 8_556 115.42(3) ?
Te1 Cs3 Te2 . 7_557 86.56(3) ?
Te3 Cs3 Te2 . 7_557 68.171(19) ?
Te2 Cs3 Te2 8_556 7_557 64.45(3) ?
Te1 Cs3 Te1 . 7_558 64.83(3) ?
Te3 Cs3 Te1 . 7_558 148.064(18) ?
Te2 Cs3 Te1 8_556 7_558 94.42(2) ?
Te2 Cs3 Te1 7_557 7_558 120.14(2) ?
Te1 Cs3 Te3 . 6_556 92.566(19) ?
Te3 Cs3 Te3 . 6_556 86.507(17) ?
Te2 Cs3 Te3 8_556 6_556 130.93(2) ?
Te2 Cs3 Te3 7_557 6_556 154.672(17) ?
Te1 Cs3 Te3 7_558 6_556 81.723(18) ?
Te1 Cs3 Te3 . 2_657 161.617(18) ?
Te3 Cs3 Te3 . 2_657 93.59(3) ?
Te2 Cs3 Te3 8_556 2_657 66.35(2) ?
Te2 Cs3 Te3 7_557 2_657 110.48(2) ?
Te1 Cs3 Te3 7_558 2_657 109.46(3) ?
Te3 Cs3 Te3 6_556 2_657 69.096(17) ?
Te1 Cs3 Cs1 . 1_556 116.28(3) ?
Te3 Cs3 Cs1 . 1_556 134.35(2) ?
Te2 Cs3 Cs1 8_556 1_556 81.21(3) ?
Te2 Cs3 Cs1 7_557 1_556 145.598(18) ?
Te1 Cs3 Cs1 7_558 1_556 57.850(16) ?
Te3 Cs3 Cs1 6_556 1_556 55.332(14) ?
Te3 Cs3 Cs1 2_657 1_556 52.54(2) ?
Te1 Cs3 Cs3 . 2_657 136.99(2) ?
Te3 Cs3 Cs3 . 2_657 60.53(2) ?
Te2 Cs3 Cs3 8_556 2_657 57.689(15) ?
Te2 Cs3 Cs3 7_557 2_657 57.219(18) ?
Te1 Cs3 Cs3 7_558 2_657 151.27(2) ?
Te3 Cs3 Cs3 6_556 2_657 110.341(13) ?
Te3 Cs3 Cs3 2_657 2_657 55.801(18) ?
Cs1 Cs3 Cs3 1_556 2_657 106.65(2) ?
Te1 Cs3 Sn1 . . 67.89(3) ?
Te3 Cs3 Sn1 . . 38.216(14) ?
Te2 Cs3 Sn1 8_556 . 100.99(3) ?
Te2 Cs3 Sn1 7_557 . 37.680(12) ?
Te1 Cs3 Sn1 7_558 . 128.705(19) ?
Te3 Cs3 Sn1 6_556 . 119.475(16) ?
Te3 Cs3 Sn1 2_657 . 121.59(3) ?
Cs1 Cs3 Sn1 1_556 . 172.449(17) ?
Cs3 Cs3 Sn1 2_657 . 69.16(2) ?
Te1 Cs3 Cs4 . 4_557 53.185(13) ?
Te3 Cs3 Cs4 . 4_557 106.86(2) ?
Te2 Cs3 Cs4 8_556 4_557 76.96(2) ?
Te2 Cs3 Cs4 7_557 4_557 53.751(19) ?
Te1 Cs3 Cs4 7_558 4_557 67.438(16) ?
Te3 Cs3 Cs4 6_556 4_557 140.834(19) ?
Te3 Cs3 Cs4 2_657 4_557 142.974(16) ?
Cs1 Cs3 Cs4 1_556 4_557 118.502(19) ?
Cs3 Cs3 Cs4 2_657 4_557 108.215(13) ?
Sn1 Cs3 Cs4 . 4_557 69.042(17) ?
Te1 Cs3 Cs1 . 5_657 117.968(17) ?
Te3 Cs3 Cs1 . 5_657 51.635(15) ?
Te2 Cs3 Cs1 8_556 5_657 110.244(19) ?
Te2 Cs3 Cs1 7_557 5_657 109.87(2) ?
Te1 Cs3 Cs1 7_558 5_657 129.890(15) ?
Te3 Cs3 Cs1 6_556 5_657 48.983(17) ?
Te3 Cs3 Cs1 2_657 5_657 50.799(13) ?
Cs1 Cs3 Cs1 1_556 5_657 82.943(15) ?
Cs3 Cs3 Cs1 2_657 5_657 63.403(10) ?
Sn1 Cs3 Cs1 . 5_657 89.527(15) ?
Cs4 Cs3 Cs1 4_557 5_657 158.493(16) ?
Te3 Cs4 Te1 . 4_547 87.899(19) ?
Te3 Cs4 Te2 . 6_556 166.92(2) ?
Te1 Cs4 Te2 4_547 6_556 87.88(2) ?
Te3 Cs4 Te1 . . 86.71(2) ?
Te1 Cs4 Te1 4_547 . 154.71(2) ?
Te2 Cs4 Te1 6_556 . 91.86(2) ?
Te3 Cs4 Te2 . . 86.10(2) ?
Te1 Cs4 Te2 4_547 . 136.79(2) ?
Te2 Cs4 Te2 6_556 . 105.36(2) ?
Te1 Cs4 Te2 . . 67.390(19) ?
Te3 Cs4 Cs2 . 5_557 132.62(2) ?
Te1 Cs4 Cs2 4_547 5_557 138.360(18) ?
Te2 Cs4 Cs2 6_556 5_557 54.73(2) ?
Te1 Cs4 Cs2 . 5_557 55.977(15) ?
Te2 Cs4 Cs2 . 5_557 54.828(19) ?
Te3 Cs4 Te3 . 6_556 85.70(2) ?
Te1 Cs4 Te3 4_547 6_556 67.598(15) ?
Te2 Cs4 Te3 6_556 6_556 81.25(2) ?
Te1 Cs4 Te3 . 6_556 87.360(17) ?
Te2 Cs4 Te3 . 6_556 153.84(2) ?
Cs2 Cs4 Te3 5_557 6_556 116.81(2) ?
Te3 Cs4 Sn1 . 7_557 67.449(15) ?
Te1 Cs4 Sn1 4_547 7_557 153.755(18) ?
Te2 Cs4 Sn1 6_556 7_557 118.142(17) ?
Te1 Cs4 Sn1 . 7_557 38.103(14) ?
Te2 Cs4 Sn1 . 7_557 37.476(11) ?
Cs2 Cs4 Sn1 5_557 7_557 65.183(17) ?
Te3 Cs4 Sn1 6_556 7_557 116.934(17) ?
Te3 Cs4 Sn1 . 6_556 103.59(2) ?
Te1 Cs4 Sn1 4_547 6_556 38.251(13) ?
Te2 Cs4 Sn1 6_556 6_556 66.005(17) ?
Te1 Cs4 Sn1 . 6_556 120.01(2) ?
Te2 Cs4 Sn1 . 6_556 167.727(19) ?
Cs2 Cs4 Sn1 5_557 6_556 119.48(2) ?
Te3 Cs4 Sn1 6_556 6_556 36.888(13) ?
Sn1 Cs4 Sn1 7_557 6_556 153.798(19) ?
Te3 Cs4 Cs3 . 4_547 129.956(18) ?
Te1 Cs4 Cs3 4_547 4_547 53.746(18) ?
Te2 Cs4 Cs3 6_556 4_547 55.084(14) ?
Te1 Cs4 Cs3 . 4_547 141.788(19) ?
Te2 Cs4 Cs3 . 4_547 100.60(2) ?
Cs2 Cs4 Cs3 5_557 4_547 86.981(19) ?
Te3 Cs4 Cs3 6_556 4_547 103.705(19) ?
Sn1 Cs4 Cs3 7_557 4_547 137.69(2) ?
Sn1 Cs4 Cs3 6_556 4_547 67.44(2) ?
Te3 Cs4 Cs3 . . 53.152(16) ?
Te1 Cs4 Cs3 4_547 . 107.02(2) ?
Te2 Cs4 Cs3 6_556 . 116.71(2) ?
Te1 Cs4 Cs3 . . 51.162(15) ?
Te2 Cs4 Cs3 . . 103.16(3) ?
Cs2 Cs4 Cs3 5_557 . 106.22(2) ?
Te3 Cs4 Cs3 6_556 . 52.812(19) ?
Sn1 Cs4 Cs3 7_557 . 65.91(2) ?
Sn1 Cs4 Cs3 6_556 . 88.80(3) ?
Cs3 Cs4 Cs3 4_547 . 156.231(16) ?
Te3 Cs4 Cs1 . 5_657 49.173(17) ?
Te1 Cs4 Cs1 4_547 5_657 50.987(13) ?
Te2 Cs4 Cs1 6_556 5_657 119.71(2) ?
Te1 Cs4 Cs1 . 5_657 108.83(2) ?
Te2 Cs4 Cs1 . 5_657 134.93(2) ?
Cs2 Cs4 Cs1 5_557 5_657 160.551(18) ?
Te3 Cs4 Cs1 6_556 5_657 45.85(2) ?
Sn1 Cs4 Cs1 7_557 5_657 111.639(17) ?
Sn1 Cs4 Cs1 6_556 5_657 54.433(19) ?
Cs3 Cs4 Cs1 4_547 5_657 104.725(18) ?
Cs3 Cs4 Cs1 . 5_657 57.678(19) ?
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
Sn1 Te2 7_557 2.7206(9) yes
Sn1 Te3 . 2.7500(8) yes
Sn1 Te1 7_557 2.7530(9) yes
Sn1 Sn1 7_557 2.8506(11) yes
Sn1 Cs4 7_557 4.3640(11) ?
Sn1 Cs1 . 4.3693(11) ?
Sn1 Cs3 . 4.3726(13) ?
Sn1 Cs4 6 4.4056(11) ?
Te1 Sn1 7_557 2.7530(9) ?
Te1 Cs4 4_557 3.8336(10) yes
Te1 Cs3 . 3.8616(10) yes
Te1 Cs2 5_557 3.8703(9) yes
Te1 Cs1 7_557 3.9861(9) yes
Te1 Cs3 7_558 3.9894(11) yes
Te1 Cs4 . 4.0064(11) yes
Te2 Sn1 7_557 2.7206(9) ?
Te2 Cs2 . 3.7495(10) yes
Te2 Cs2 5_557 3.8184(10) yes
Te2 Cs4 6 3.9034(11) yes
Te2 Cs3 8_455 3.9482(9) yes
Te2 Cs3 7_557 3.9689(9) yes
Te2 Cs4 . 4.0566(12) yes
Te3 Cs1 . 3.7089(11) yes
Te3 Cs4 . 3.7514(11) yes
Te3 Cs1 5_657 3.8558(11) yes
Te3 Cs3 . 3.9306(10) yes
Te3 Cs3 6 4.0572(10) yes
Te3 Cs3 2_657 4.1373(11) yes
Te3 Cs4 6 4.2782(16) yes
Cs1 Te3 2_656 3.7089(11) ?
Cs1 Te3 6 3.8558(11) ?
Cs1 Te3 5_657 3.8558(11) ?
Cs1 Te1 8 3.9861(9) ?
Cs1 Te1 7_557 3.9861(9) ?
Cs1 Cs3 2_657 4.2397(12) ?
Cs1 Cs3 1_554 4.2397(12) ?
Cs1 Sn1 2_656 4.3693(11) ?
Cs1 Cs2 3 4.3931(14) ?
Cs1 Cs3 6 4.7568(12) ?
Cs2 Te2 2_556 3.7495(10) ?
Cs2 Te2 5_557 3.8184(10) ?
Cs2 Te2 6 3.8184(10) ?
Cs2 Te1 5_557 3.8703(9) ?
Cs2 Te1 6 3.8703(9) ?
Cs2 Cs4 6 4.2299(9) ?
Cs2 Cs4 5_557 4.2299(10) ?
Cs2 Cs1 3_445 4.3931(14) ?
Cs2 Cs3 3_444 5.1782(12) ?
Cs2 Cs3 4_547 5.1782(12) ?
Cs2 Cs4 . 5.5458(19) ?
Cs3 Te2 8_556 3.9482(9) ?
Cs3 Te2 7_557 3.9689(9) ?
Cs3 Te1 7_558 3.9894(11) ?
Cs3 Te3 6_556 4.0572(10) ?
Cs3 Te3 2_657 4.1373(11) ?
Cs3 Cs1 1_556 4.2397(12) ?
Cs3 Cs3 2_657 4.2593(14) ?
Cs3 Cs4 4_557 4.5811(11) ?
Cs3 Cs1 5_657 4.7568(12) ?
Cs4 Te1 4_547 3.8336(10) ?
Cs4 Te2 6_556 3.9034(11) ?
Cs4 Cs2 5_557 4.2299(9) ?
Cs4 Te3 6_556 4.2782(16) ?
Cs4 Sn1 7_557 4.3640(11) ?
Cs4 Sn1 6_556 4.4056(11) ?
Cs4 Cs3 4_547 4.5811(11) ?
Cs4 Cs1 5_657 5.0620(12) ?
