#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:34:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179252 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/72/4317236.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_4317236
loop_
_publ_author_name
'Johanna Heine'
'Stefanie Dehnen'
_publ_section_title
;
 Aqueous Telluridoindate Chemistry: Water-Soluble Salts of Monomeric,
 Dimeric, and Trimeric In/Te Anions [InTe4]5-, [In2Te6]6-, and
 [In3Te10]11-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11216
_journal_page_last               11222
_journal_paper_doi               10.1021/ic101881j
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'In3 Te10, Te0.04, 2(H2O), 11(K), 2(K0.04)'
_chemical_formula_sum            'H4 In3 K11.08 O2 Te10.04'
_chemical_formula_weight         2095.17
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_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            12
_cell_length_a                   22.960(2)
_cell_length_b                   22.960(2)
_cell_length_c                   22.960(2)
_cell_measurement_reflns_used    1699
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      52.42
_cell_measurement_theta_min      4.35
_cell_volume                     12103.6(18)
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       ω-scan
_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  0.1287
_diffrn_reflns_av_sigmaI/netI    0.2381
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            6637
_diffrn_reflns_theta_full        25.96
_diffrn_reflns_theta_max         25.96
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    9.963
_exptl_absorpt_correction_T_max  0.43131
_exptl_absorpt_correction_T_min  0.23174
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'A.L.Spek (2003) J. Appl. Cryst. 36, 7-13'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             10797
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.06
_refine_diff_density_max         10.054
_refine_diff_density_min         -4.845
_refine_diff_density_rms         0.530
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.818
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     74
_refine_ls_number_reflns         2120
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.818
_refine_ls_R_factor_all          0.1459
_refine_ls_R_factor_gt           0.0709
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1562
_refine_ls_wR_factor_ref         0.1702
_reflns_number_gt                867
_reflns_number_total             2120
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic101881j_si_006.cif
_cod_data_source_block           compound5
_cod_original_cell_volume        12104(2)
_cod_database_code               4317236
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'y, z, x'
'-y, -z, x'
'y, -z, -x'
'-y, z, -x'
'z, x, y'
'-z, x, -y'
'-z, -x, y'
'z, -x, -y'
'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'
'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+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+1/2, -y+1/2'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'-y, -z, -x'
'y, z, -x'
'-y, z, x'
'y, -z, x'
'-z, -x, -y'
'z, -x, y'
'z, x, -y'
'-z, x, y'
'-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'
'-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+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+1/2, y+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
In1 In 0.5000 0.21158(12) 0.29141(12) 0.0150(6) Uani 1 2 d S . .
In2 In 0.5000 0.1613(3) 0.5000 0.0504(15) Uani 1 4 d S . .
Te1 Te 0.40119(7) 0.25745(7) 0.24077(7) 0.0163(4) Uani 1 1 d . . .
Te2 Te 0.40058(11) 0.09615(12) 0.5000 0.0259(6) Uani 1 2 d S . .
Te3 Te 0.5000 0.09129(12) 0.29281(14) 0.0250(6) Uani 1 2 d S . .
Te4 Te 0.5000 0.24802(14) 0.40999(11) 0.0287(7) Uani 1 2 d S . .
Te99 Te 0.5000 0.5000 0.5000 0.003(4) Uani 0.25 24 d SP . .
K99 K 0.5000 0.5000 0.5000 0.003(4) Uani 0.50 24 d SP . .
K1 K 0.5000 0.2472(4) 0.1169(3) 0.0186(18) Uani 1 2 d S . .
K2 K 0.2500 0.2500 0.2500 0.015(3) Uani 1 6 d S . .
K3 K 0.5000 0.3743(4) 0.2530(5) 0.029(2) Uani 1 2 d S . .
K4 K 0.3612(3) 0.1471(3) 0.1365(3) 0.0292(14) Uani 1 1 d . . .
K5 K 0.3554(4) 0.3554(4) 0.3554(4) 0.046(4) Uani 1 3 d S . .
K6 K 0.5000 0.0000 0.4178(6) 0.047(5) Uani 1 4 d S . .
O1 O 0.5000 0.1306(10) 0.1427(10) 0.013(5) Uiso 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
Te Te -0.5308 1.6751 '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
Te1 In1 Te1 110.67(11) . 27_655 ?
Te1 In1 Te3 112.75(8) . . ?
Te1 In1 Te3 112.75(8) 27_655 . ?
Te1 In1 Te4 106.91(8) . . ?
Te1 In1 Te4 106.91(8) 27_655 . ?
Te3 In1 Te4 106.41(12) . . ?
Te1 In1 K4 69.42(10) . 45 ?
Te1 In1 K4 175.63(15) 27_655 45 ?
Te3 In1 K4 63.79(10) . 45 ?
Te4 In1 K4 77.01(12) . 45 ?
Te1 In1 K4 175.63(15) . 24 ?
Te1 In1 K4 69.42(10) 27_655 24 ?
Te3 In1 K4 63.79(10) . 24 ?
Te4 In1 K4 77.01(12) . 24 ?
K4 In1 K4 110.1(2) 45 24 ?
Te1 In1 K3 62.07(8) . . ?
Te1 In1 K3 62.07(8) 27_655 . ?
Te3 In1 K3 167.4(2) . . ?
Te4 In1 K3 86.19(18) . . ?
K4 In1 K3 120.70(11) 45 . ?
K4 In1 K3 120.70(11) 24 . ?
Te1 In1 K1 60.70(7) . . ?
Te1 In1 K1 60.70(7) 27_655 . ?
Te3 In1 K1 102.20(16) . . ?
Te4 In1 K1 151.38(16) . . ?
K4 In1 K1 116.71(12) 45 . ?
K4 In1 K1 116.71(12) 24 . ?
K3 In1 K1 65.2(2) . . ?
Te2 In2 Te2 113.6(2) . 27_655 ?
Te2 In2 Te4 112.35(5) . 26_556 ?
Te2 In2 Te4 112.35(5) 27_655 26_556 ?
Te2 In2 Te4 112.35(5) . . ?
Te2 In2 Te4 112.35(5) 27_655 . ?
Te4 In2 Te4 92.1(2) 26_556 . ?
Te2 In2 K3 177.1(3) . 31_655 ?
Te2 In2 K3 69.37(17) 27_655 31_655 ?
Te4 In2 K3 65.84(14) 26_556 31_655 ?
Te4 In2 K3 65.84(14) . 31_655 ?
Te2 In2 K3 69.37(17) . 5 ?
Te2 In2 K3 177.1(3) 27_655 5 ?
Te4 In2 K3 65.84(14) 26_556 5 ?
Te4 In2 K3 65.84(14) . 5 ?
K3 In2 K3 107.7(4) 31_655 5 ?
Te2 In2 K6 60.78(12) . . ?
Te2 In2 K6 60.78(12) 27_655 . ?
Te4 In2 K6 160.9(2) 26_556 . ?
Te4 In2 K6 106.94(18) . . ?
K3 In2 K6 121.70(16) 31_655 . ?
K3 In2 K6 121.70(16) 5 . ?
Te2 In2 K6 60.78(12) . 25_656 ?
Te2 In2 K6 60.78(12) 27_655 25_656 ?
Te4 In2 K6 106.94(18) 26_556 25_656 ?
Te4 In2 K6 160.9(2) . 25_656 ?
K3 In2 K6 121.70(16) 31_655 25_656 ?
K3 In2 K6 121.70(16) 5 25_656 ?
K6 In2 K6 54.0(3) . 25_656 ?
In1 Te1 K2 140.85(7) . . ?
In1 Te1 K3 74.20(13) . . ?
K2 Te1 K3 132.38(11) . . ?
In1 Te1 K4 142.71(13) . 41 ?
K2 Te1 K4 76.29(11) . 41 ?
K3 Te1 K4 74.45(18) . 41 ?
In1 Te1 K4 102.77(14) . . ?
K2 Te1 K4 75.65(11) . . ?
K3 Te1 K4 138.8(2) . . ?
K4 Te1 K4 87.97(12) 41 . ?
In1 Te1 K5 99.75(16) . . ?
K2 Te1 K5 72.36(18) . . ?
K3 Te1 K5 69.8(2) . . ?
K4 Te1 K5 87.87(13) 41 . ?
K4 Te1 K5 147.8(2) . . ?
In1 Te1 K1 78.01(11) . . ?
K2 Te1 K1 131.66(9) . . ?
K3 Te1 K1 73.20(19) . . ?
K4 Te1 K1 74.01(16) 41 . ?
K4 Te1 K1 66.10(15) . . ?
K5 Te1 K1 142.03(19) . . ?
In1 Te1 K4 68.43(11) . 45 ?
K2 Te1 K4 72.56(10) . 45 ?
K3 Te1 K4 129.1(2) . 45 ?
K4 Te1 K4 148.84(18) 41 45 ?
K4 Te1 K4 83.66(13) . 45 ?
K5 Te1 K4 83.58(12) . 45 ?
K1 Te1 K4 128.04(16) . 45 ?
In2 Te2 K1 139.07(19) . 5 ?
In2 Te2 K4 92.78(14) . 23 ?
K1 Te2 K4 74.38(12) 5 23 ?
In2 Te2 K4 92.78(14) . 45 ?
K1 Te2 K4 74.38(12) 5 45 ?
K4 Te2 K4 138.0(2) 23 45 ?
In2 Te2 K3 66.27(19) . 5 ?
K1 Te2 K3 72.8(2) 5 5 ?
K4 Te2 K3 72.21(12) 23 5 ?
K4 Te2 K3 72.21(12) 45 5 ?
In2 Te2 K6 79.08(11) . 25_656 ?
K1 Te2 K6 133.83(15) 5 25_656 ?
K4 Te2 K6 80.2(2) 23 25_656 ?
K4 Te2 K6 141.6(2) 45 25_656 ?
K3 Te2 K6 133.74(15) 5 25_656 ?
In2 Te2 K6 79.08(11) . . ?
K1 Te2 K6 133.83(15) 5 . ?
K4 Te2 K6 141.6(2) 23 . ?
K4 Te2 K6 80.2(2) 45 . ?
K3 Te2 K6 133.74(15) 5 . ?
K6 Te2 K6 61.4(4) 25_656 . ?
In1 Te3 K1 126.24(9) . 45 ?
In1 Te3 K1 126.24(9) . 47_545 ?
K1 Te3 K1 99.10(19) 45 47_545 ?
In1 Te3 K6 126.81(17) . . ?
K1 Te3 K6 81.94(15) 45 . ?
K1 Te3 K6 81.94(15) 47_545 . ?
In1 Te3 K4 72.61(13) . 24 ?
K1 Te3 K4 160.72(16) 45 24 ?
K1 Te3 K4 67.46(15) 47_545 24 ?
K6 Te3 K4 82.46(13) . 24 ?
In1 Te3 K4 72.61(13) . 45 ?
K1 Te3 K4 67.46(15) 45 45 ?
K1 Te3 K4 160.72(16) 47_545 45 ?
K6 Te3 K4 82.46(13) . 45 ?
K4 Te3 K4 121.4(2) 24 45 ?
In1 Te4 In2 118.98(15) . . ?
In1 Te4 K3 124.47(11) . 31_655 ?
In2 Te4 K3 66.64(15) . 31_655 ?
In1 Te4 K3 124.47(11) . 5 ?
In2 Te4 K3 66.64(15) . 5 ?
K3 Te4 K3 108.68(18) 31_655 5 ?
O1 K1 Te3 84.9(4) . 41 ?
O1 K1 Te3 84.9(4) . 19 ?
Te3 K1 Te3 72.91(17) 41 19 ?
O1 K1 Te2 175.2(6) . 9 ?
Te3 K1 Te2 98.97(17) 41 9 ?
Te3 K1 Te2 98.97(17) 19 9 ?
O1 K1 Te1 83.9(4) . 27_655 ?
Te3 K1 Te1 168.6(3) 41 27_655 ?
Te3 K1 Te1 103.92(5) 19 27_655 ?
Te2 K1 Te1 92.33(18) 9 27_655 ?
O1 K1 Te1 83.9(4) . . ?
Te3 K1 Te1 103.92(5) 41 . ?
Te3 K1 Te1 168.6(3) 19 . ?
Te2 K1 Te1 92.33(18) 9 . ?
Te1 K1 Te1 76.97(16) 27_655 . ?
O1 K1 K4 53.70(14) . . ?
Te3 K1 K4 57.06(13) 41 . ?
Te3 K1 K4 114.4(2) 19 . ?
Te2 K1 K4 126.24(14) 9 . ?
Te1 K1 K4 116.8(2) 27_655 . ?
Te1 K1 K4 56.46(12) . . ?
O1 K1 K4 53.70(14) . 27_655 ?
Te3 K1 K4 114.4(2) 41 27_655 ?
Te3 K1 K4 57.06(13) 19 27_655 ?
Te2 K1 K4 126.24(14) 9 27_655 ?
Te1 K1 K4 56.46(12) 27_655 27_655 ?
Te1 K1 K4 116.8(2) . 27_655 ?
K4 K1 K4 107.4(3) . 27_655 ?
O1 K1 In1 66.0(5) . . ?
Te3 K1 In1 133.91(15) 41 . ?
Te3 K1 In1 133.91(15) 19 . ?
Te2 K1 In1 109.2(2) 9 . ?
Te1 K1 In1 41.29(8) 27_655 . ?
Te1 K1 In1 41.29(8) . . ?
K4 K1 In1 76.85(16) . . ?
K4 K1 In1 76.85(16) 27_655 . ?
O1 K1 K3 120.6(6) . . ?
Te3 K1 K3 137.21(16) 41 . ?
Te3 K1 K3 137.21(16) 19 . ?
Te2 K1 K3 54.66(19) 9 . ?
Te1 K1 K3 52.11(14) 27_655 . ?
Te1 K1 K3 52.11(14) . . ?
K4 K1 K3 108.29(18) . . ?
K4 K1 K3 108.29(18) 27_655 . ?
In1 K1 K3 54.58(17) . . ?
O1 K1 K4 125.2(2) . 19 ?
Te3 K1 K4 135.4(2) 41 19 ?
Te3 K1 K4 77.62(12) 19 19 ?
Te2 K1 K4 53.48(13) 9 19 ?
Te1 K1 K4 52.05(11) 27_655 19 ?
Te1 K1 K4 110.8(2) . 19 ?
K4 K1 K4 166.6(2) . 19 ?
K4 K1 K4 73.57(16) 27_655 19 ?
In1 K1 K4 90.56(16) . 19 ?
K3 K1 K4 59.66(16) . 19 ?
O1 K1 K4 125.2(2) . 41 ?
Te3 K1 K4 77.62(12) 41 41 ?
Te3 K1 K4 135.4(2) 19 41 ?
Te2 K1 K4 53.48(13) 9 41 ?
Te1 K1 K4 110.8(2) 27_655 41 ?
Te1 K1 K4 52.05(11) . 41 ?
K4 K1 K4 73.57(16) . 41 ?
K4 K1 K4 166.6(2) 27_655 41 ?
In1 K1 K4 90.56(16) . 41 ?
K3 K1 K4 59.66(16) . 41 ?
K4 K1 K4 102.4(3) 19 41 ?
Te1 K2 Te1 180.00(5) . 37 ?
Te1 K2 Te1 89.16(4) . 45 ?
Te1 K2 Te1 90.84(4) 37 45 ?
Te1 K2 Te1 90.84(4) . 9 ?
Te1 K2 Te1 89.16(4) 37 9 ?
Te1 K2 Te1 180.00(6) 45 9 ?
Te1 K2 Te1 89.16(4) . 41 ?
Te1 K2 Te1 90.84(4) 37 41 ?
Te1 K2 Te1 90.84(4) 45 41 ?
Te1 K2 Te1 89.16(4) 9 41 ?
Te1 K2 Te1 90.84(4) . 5 ?
Te1 K2 Te1 89.16(4) 37 5 ?
Te1 K2 Te1 89.16(4) 45 5 ?
Te1 K2 Te1 90.84(4) 9 5 ?
Te1 K2 Te1 180.0 41 5 ?
K5 K2 K5 180.0(4) 37 . ?
Te1 K2 K4 53.46(10) . . ?
Te1 K2 K4 126.54(10) 37 . ?
Te1 K2 K4 52.62(9) 45 . ?
Te1 K2 K4 127.38(9) 9 . ?
Te1 K2 K4 57.60(10) 41 . ?
Te1 K2 K4 122.40(10) 5 . ?
K5 K2 K4 71.29(10) 37 . ?
K5 K2 K4 108.71(10) . . ?
Te1 K2 K4 126.54(10) . 37 ?
Te1 K2 K4 53.46(10) 37 37 ?
Te1 K2 K4 127.38(9) 45 37 ?
Te1 K2 K4 52.62(9) 9 37 ?
Te1 K2 K4 122.40(10) 41 37 ?
Te1 K2 K4 57.60(10) 5 37 ?
K5 K2 K4 108.71(10) 37 37 ?
K5 K2 K4 71.29(10) . 37 ?
K4 K2 K4 180.0 . 37 ?
Te1 K2 K4 127.38(9) . 5 ?
Te1 K2 K4 52.62(9) 37 5 ?
Te1 K2 K4 57.60(10) 45 5 ?
Te1 K2 K4 122.40(10) 9 5 ?
Te1 K2 K4 126.54(10) 41 5 ?
Te1 K2 K4 53.46(10) 5 5 ?
K5 K2 K4 71.29(10) 37 5 ?
K5 K2 K4 108.71(10) . 5 ?
K4 K2 K4 110.22(10) . 5 ?
K4 K2 K4 69.78(10) 37 5 ?
Te1 K2 K4 52.62(9) . 41 ?
Te1 K2 K4 127.38(9) 37 41 ?
Te1 K2 K4 122.40(10) 45 41 ?
Te1 K2 K4 57.60(10) 9 41 ?
Te1 K2 K4 53.46(10) 41 41 ?
Te1 K2 K4 126.54(10) 5 41 ?
K5 K2 K4 108.71(10) 37 41 ?
K5 K2 K4 71.29(10) . 41 ?
K4 K2 K4 69.78(10) . 41 ?
K4 K2 K4 110.22(10) 37 41 ?
K4 K2 K4 180.00(15) 5 41 ?
Te1 K3 Te1 80.1(2) . 27_655 ?
Te1 K3 Te4 172.1(3) . 11_665 ?
Te1 K3 Te4 103.97(5) 27_655 11_665 ?
Te1 K3 Te4 103.97(5) . 9 ?
Te1 K3 Te4 172.1(3) 27_655 9 ?
Te4 K3 Te4 71.19(18) 11_665 9 ?
Te1 K3 In2 124.6(2) . 9 ?
Te1 K3 In2 124.6(2) 27_655 9 ?
Te4 K3 In2 47.53(13) 11_665 9 ?
Te4 K3 In2 47.53(13) 9 9 ?
Te1 K3 Te2 92.7(2) . 9 ?
Te1 K3 Te2 92.7(2) 27_655 9 ?
Te4 K3 Te2 80.44(19) 11_665 9 ?
Te4 K3 Te2 80.44(19) 9 9 ?
In2 K3 Te2 44.36(15) 9 9 ?
Te1 K3 In1 43.73(11) . . ?
Te1 K3 In1 43.73(11) 27_655 . ?
Te4 K3 In1 142.97(12) 11_665 . ?
Te4 K3 In1 142.97(12) 9 . ?
In2 K3 In1 157.1(3) 9 . ?
Te2 K3 In1 112.8(3) 9 . ?
Te1 K3 K5 119.2(2) . 27_655 ?
Te1 K3 K5 56.15(19) 27_655 27_655 ?
Te4 K3 K5 68.45(10) 11_665 27_655 ?
Te4 K3 K5 125.3(3) 9 27_655 ?
In2 K3 K5 115.13(15) 9 27_655 ?
Te2 K3 K5 125.76(19) 9 27_655 ?
In1 K3 K5 76.40(17) . 27_655 ?
Te1 K3 K5 56.2(2) . . ?
Te1 K3 K5 119.2(2) 27_655 . ?
Te4 K3 K5 125.3(3) 11_665 . ?
Te4 K3 K5 68.45(10) 9 . ?
In2 K3 K5 115.13(15) 9 . ?
Te2 K3 K5 125.76(19) 9 . ?
In1 K3 K5 76.40(17) . . ?
K5 K3 K5 108.5(4) 27_655 . ?
Te1 K3 K1 54.69(15) . . ?
Te1 K3 K1 54.69(15) 27_655 . ?
Te4 K3 K1 122.1(2) 11_665 . ?
Te4 K3 K1 122.1(2) 9 . ?
In2 K3 K1 96.9(3) 9 . ?
Te2 K3 K1 52.54(18) 9 . ?
In1 K3 K1 60.22(17) . . ?
K5 K3 K1 110.3(2) 27_655 . ?
K5 K3 K1 110.3(2) . . ?
Te1 K3 K4 53.10(12) . 41 ?
Te1 K3 K4 114.5(3) 27_655 41 ?
Te4 K3 K4 119.1(3) 11_665 41 ?
Te4 K3 K4 64.43(13) 9 41 ?
In2 K3 K4 71.68(17) 9 41 ?
Te2 K3 K4 53.53(15) 9 41 ?
In1 K3 K4 94.82(18) . 41 ?
K5 K3 K4 170.3(3) 27_655 41 ?
K5 K3 K4 72.91(17) . 41 ?
K1 K3 K4 60.85(17) . 41 ?
Te1 K3 K4 114.5(3) . 19 ?
Te1 K3 K4 53.10(12) 27_655 19 ?
Te4 K3 K4 64.43(13) 11_665 19 ?
Te4 K3 K4 119.1(3) 9 19 ?
In2 K3 K4 71.68(17) 9 19 ?
Te2 K3 K4 53.53(15) 9 19 ?
In1 K3 K4 94.82(18) . 19 ?
K5 K3 K4 72.91(17) 27_655 19 ?
K5 K3 K4 170.3(3) . 19 ?
K1 K3 K4 60.85(17) . 19 ?
K4 K3 K4 104.1(3) 41 19 ?
O1 K4 Te1 125.9(5) . 45 ?
O1 K4 Te3 77.5(5) . 41 ?
Te1 K4 Te3 156.5(2) 45 41 ?
O1 K4 Te1 78.5(4) . . ?
Te1 K4 Te1 86.09(15) 45 . ?
Te3 K4 Te1 103.42(17) 41 . ?
O1 K4 Te2 68.4(4) . 41 ?
Te1 K4 Te2 92.76(16) 45 41 ?
Te3 K4 Te2 94.09(16) 41 41 ?
Te1 K4 Te2 138.0(2) . 41 ?
O1 K4 In1 120.9(5) . 41 ?
Te1 K4 In1 112.87(19) 45 41 ?
Te3 K4 In1 43.60(10) 41 41 ?
Te1 K4 In1 113.35(18) . 41 ?
Te2 K4 In1 105.69(18) 41 41 ?
O1 K4 Te1 142.3(5) . 41 ?
Te1 K4 Te1 84.04(14) 45 41 ?
Te3 K4 Te1 76.23(14) 41 41 ?
Te1 K4 Te1 81.91(14) . 41 ?
Te2 K4 Te1 139.8(2) 41 41 ?
In1 K4 Te1 42.16(9) 41 41 ?
O1 K4 K1 43.5(4) . . ?
Te1 K4 K1 142.2(2) 45 . ?
Te3 K4 K1 55.48(15) 41 . ?
Te1 K4 K1 57.44(16) . . ?
Te2 K4 K1 107.3(2) 41 . ?
In1 K4 K1 92.56(17) 41 . ?
Te1 K4 K1 98.99(18) 41 . ?
O1 K4 K3 121.1(5) . 45 ?
Te1 K4 K3 52.45(15) 45 45 ?
Te3 K4 K3 116.0(2) 41 45 ?
Te1 K4 K3 138.5(2) . 45 ?
Te2 K4 K3 54.27(15) 41 45 ?
In1 K4 K3 88.6(2) 41 45 ?
Te1 K4 K3 94.64(19) 41 45 ?
K1 K4 K3 160.9(2) . 45 ?
O1 K4 K1 76.4(4) . 45 ?
Te1 K4 K1 53.94(13) 45 45 ?
Te3 K4 K1 143.3(2) 41 45 ?
Te1 K4 K1 96.25(19) . 45 ?
Te2 K4 K1 52.14(13) 41 45 ?
In1 K4 K1 147.5(2) 41 45 ?
Te1 K4 K1 137.89(19) 41 45 ?
K1 K4 K1 115.4(2) . 45 ?
K3 K4 K1 59.50(17) 45 45 ?
O1 K4 K2 128.3(5) . . ?
Te1 K4 K2 51.09(8) 45 . ?
Te3 K4 K2 119.50(18) 41 . ?
Te1 K4 K2 50.89(9) . . ?
Te2 K4 K2 143.83(17) 41 . ?
In1 K4 K2 91.94(14) 41 . ?
Te1 K4 K2 49.84(8) 41 . ?
K1 K4 K2 103.03(19) . . ?
K3 K4 K2 95.94(17) 45 . ?
K1 K4 K2 97.01(15) 45 . ?
O1 K4 K6 47.3(4) . 41 ?
Te1 K4 K6 143.4(2) 45 41 ?
Te3 K4 K6 48.41(15) 41 41 ?
Te1 K4 K6 119.5(2) . 41 ?
Te2 K4 K6 50.60(17) 41 41 ?
In1 K4 K6 82.38(14) 41 41 ?
Te1 K4 K6 122.77(19) 41 41 ?
K1 K4 K6 64.1(2) . 41 ?
K3 K4 K6 97.3(2) 45 41 ?
K1 K4 K6 94.9(2) 45 41 ?
K2 K4 K6 165.5(2) . 41 ?
Te1 K5 Te1 86.5(3) . 9 ?
Te1 K5 Te1 86.5(3) . 5 ?
Te1 K5 Te1 86.5(3) 9 5 ?
Te1 K5 K3 54.01(13) . . ?
Te1 K5 K3 101.66(15) 9 . ?
Te1 K5 K3 138.5(3) 5 . ?
Te1 K5 K3 138.5(3) . 9 ?
Te1 K5 K3 54.01(13) 9 9 ?
Te1 K5 K3 101.66(15) 5 9 ?
K3 K5 K3 116.19(15) . 9 ?
Te1 K5 K3 101.66(15) . 5 ?
Te1 K5 K3 138.5(3) 9 5 ?
Te1 K5 K3 54.01(13) 5 5 ?
K3 K5 K3 116.19(15) . 5 ?
K3 K5 K3 116.19(15) 9 5 ?
Te1 K5 K2 52.31(18) . . ?
Te1 K5 K2 52.31(18) 9 . ?
Te1 K5 K2 52.31(18) 5 . ?
K3 K5 K2 101.4(2) . . ?
K3 K5 K2 101.4(2) 9 . ?
K3 K5 K2 101.4(2) 5 . ?
Te1 K5 K4 50.17(14) . 45 ?
Te1 K5 K4 108.1(3) 9 45 ?
Te1 K5 K4 45.54(12) 5 45 ?
K3 K5 K4 93.96(17) . 45 ?
K3 K5 K4 146.5(3) 9 45 ?
K3 K5 K4 55.33(15) 5 45 ?
K2 K5 K4 55.80(17) . 45 ?
Te1 K5 K4 108.1(3) . 37 ?
Te1 K5 K4 45.54(12) 9 37 ?
Te1 K5 K4 50.17(14) 5 37 ?
K3 K5 K4 146.5(3) . 37 ?
K3 K5 K4 55.33(15) 9 37 ?
K3 K5 K4 93.96(17) 5 37 ?
K2 K5 K4 55.80(17) . 37 ?
K4 K5 K4 91.5(2) 45 37 ?
Te1 K5 K4 45.54(12) . 41 ?
Te1 K5 K4 50.17(14) 9 41 ?
Te1 K5 K4 108.1(3) 5 41 ?
K3 K5 K4 55.33(15) . 41 ?
K3 K5 K4 93.96(17) 9 41 ?
K3 K5 K4 146.5(3) 5 41 ?
K2 K5 K4 55.80(17) . 41 ?
K4 K5 K4 91.5(2) 45 41 ?
K4 K5 K4 91.5(2) 37 41 ?
Te3 K6 Te3 72.3(3) 2_655 . ?
Te3 K6 Te2 139.91(17) 2_655 27_655 ?
Te3 K6 Te2 93.44(7) . 27_655 ?
Te3 K6 Te2 93.44(7) 2_655 3_556 ?
Te3 K6 Te2 139.91(17) . 3_556 ?
Te2 K6 Te2 118.6(4) 27_655 3_556 ?
Te3 K6 Te2 93.44(7) 2_655 25_656 ?
Te3 K6 Te2 139.91(17) . 25_656 ?
Te2 K6 Te2 73.40(17) 27_655 25_656 ?
Te2 K6 Te2 76.33(19) 3_556 25_656 ?
Te3 K6 Te2 139.91(17) 2_655 . ?
Te3 K6 Te2 93.44(7) . . ?
Te2 K6 Te2 76.33(19) 27_655 . ?
Te2 K6 Te2 73.40(17) 3_556 . ?
Te2 K6 Te2 118.6(4) 25_656 . ?
Te3 K6 K6 143.86(13) 2_655 25_656 ?
Te3 K6 K6 143.86(13) . 25_656 ?
Te2 K6 K6 59.28(18) 27_655 25_656 ?
Te2 K6 K6 59.28(17) 3_556 25_656 ?
Te2 K6 K6 59.28(18) 25_656 25_656 ?
Te2 K6 K6 59.28(18) . 25_656 ?
Te3 K6 In2 153.1(3) 2_655 . ?
Te3 K6 In2 80.86(7) . . ?
Te2 K6 In2 40.14(8) 27_655 . ?
Te2 K6 In2 107.5(3) 3_556 . ?
Te2 K6 In2 107.5(3) 25_656 . ?
Te2 K6 In2 40.14(8) . . ?
K6 K6 In2 62.99(16) 25_656 . ?
Te3 K6 In2 80.86(7) 2_655 25_656 ?
Te3 K6 In2 153.1(3) . 25_656 ?
Te2 K6 In2 107.5(3) 27_655 25_656 ?
Te2 K6 In2 40.14(8) 3_556 25_656 ?
Te2 K6 In2 40.14(8) 25_656 25_656 ?
Te2 K6 In2 107.5(3) . 25_656 ?
K6 K6 In2 62.99(16) 25_656 25_656 ?
In2 K6 In2 126.0(3) . 25_656 ?
Te3 K6 K1 48.78(15) 2_655 45 ?
Te3 K6 K1 48.78(15) . 45 ?
Te2 K6 K1 140.72(17) 27_655 45 ?
Te2 K6 K1 93.42(12) 3_556 45 ?
Te2 K6 K1 140.72(17) 25_656 45 ?
Te2 K6 K1 93.42(12) . 45 ?
K6 K6 K1 144.68(13) 25_656 45 ?
In2 K6 K1 111.75(11) . 45 ?
In2 K6 K1 111.75(11) 25_656 45 ?
Te3 K6 K1 48.78(15) 2_655 47_545 ?
Te3 K6 K1 48.78(15) . 47_545 ?
Te2 K6 K1 93.42(12) 27_655 47_545 ?
Te2 K6 K1 140.72(17) 3_556 47_545 ?
Te2 K6 K1 93.42(12) 25_656 47_545 ?
Te2 K6 K1 140.72(17) . 47_545 ?
K6 K6 K1 144.68(13) 25_656 47_545 ?
In2 K6 K1 111.75(11) . 47_545 ?
In2 K6 K1 111.75(11) 25_656 47_545 ?
K1 K6 K1 70.6(3) 45 47_545 ?
Te3 K6 K4 49.13(11) 2_655 22_545 ?
Te3 K6 K4 98.2(2) . 22_545 ?
Te2 K6 K4 167.7(3) 27_655 22_545 ?
Te2 K6 K4 49.18(9) 3_556 22_545 ?
Te2 K6 K4 99.69(11) 25_656 22_545 ?
Te2 K6 K4 98.91(10) . 22_545 ?
K6 K6 K4 108.44(17) 25_656 22_545 ?
In2 K6 K4 138.27(11) . 22_545 ?
In2 K6 K4 62.68(9) 25_656 22_545 ?
K1 K6 K4 50.01(13) 45 22_545 ?
K1 K6 K4 97.3(2) 47_545 22_545 ?
K1 O1 K4 82.8(4) . 27_655 ?
K1 O1 K4 82.8(4) . . ?
K4 O1 K4 165.5(8) 27_655 . ?
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
In1 Te1 2.758(2) . ?
In1 Te1 2.758(2) 27_655 ?
In1 Te3 2.762(4) . ?
In1 Te4 2.848(4) . ?
In2 Te2 2.729(4) . ?
In2 Te2 2.729(4) 27_655 ?
In2 Te4 2.870(5) 26_556 ?
In2 Te4 2.870(5) . ?
Te1 K2 3.4821(17) . ?
K1 O1 2.74(2) . ?
K2 Te1 3.4821(17) 37 ?
K2 Te1 3.4821(17) 45 ?
K2 Te1 3.4821(17) 9 ?
K2 Te1 3.4821(17) 41 ?
K2 Te1 3.4821(17) 5 ?
K4 O1 3.212(8) . ?
O1 K4 3.212(8) 27_655 ?
