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#$Date: 2016-03-23 16:45:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179392 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/89/4328913.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_4328913
loop_
_publ_author_name
'Hua Lin'
'Long-Hua Li'
'Ling Chen'
_publ_section_title
;
 Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide
 Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4588
_journal_page_last               4596
_journal_paper_doi               10.1021/ic202494w
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'Cl Cs6 Ho21 Te34'
_chemical_formula_sum            'Cl Cs6 Ho21 Te34'
_chemical_formula_weight         8634.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 128.629(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.779(2)
_cell_length_b                   21.4864(15)
_cell_length_c                   14.2957(15)
_cell_measurement_reflns_used    5877
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4719
_cell_measurement_theta_min      2.1708
_cell_volume                     4506.2(8)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  Mercury2
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0645
_diffrn_reflns_av_sigmaI/netI    0.0829
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14603
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    31.402
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2858
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    6.364
_exptl_crystal_description       Block
_exptl_crystal_F_000             7044
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         2.950
_refine_diff_density_min         -2.646
_refine_diff_density_rms         0.542
_refine_ls_extinction_coef       0.000023(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         4067
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0498
_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)+(0.0428P)²+3.8849P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1190
_refine_ls_wR_factor_ref         0.1230
_reflns_number_gt                3712
_reflns_number_total             4067
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202494w_si_001_8.cif
_cod_data_source_block           ClCs6Ho21Te34
_cod_original_cell_volume        4506.1(8)
_cod_database_code               4328913
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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
Cs1 Cs 0.42457(7) 0.38249(5) 0.27858(10) 0.0374(3) Uani 1 1 d .
Cs2 Cs 0.28193(10) 0.5000 0.42636(14) 0.0371(4) Uani 1 2 d S
Ho1 Ho 0.0000 0.30041(4) 0.0000 0.0141(2) Uani 1 2 d S
Ho2 Ho 0.25174(4) 0.20549(3) 0.25036(5) 0.01446(18) Uani 1 1 d .
Ho3 Ho 0.12938(4) 0.29804(3) 0.37816(5) 0.01348(18) Uani 1 1 d .
Ho4 Ho 0.0000 0.09728(4) 0.0000 0.0136(2) Uani 1 2 d S
Ho5 Ho 0.36906(4) 0.10150(3) 0.11110(5) 0.01463(18) Uani 1 1 d .
Ho6 Ho 0.5000 0.10221(4) 0.5000 0.0156(2) Uani 1 2 d S
Ho7 Ho 0.0000 0.5000 0.0000 0.0134(3) Uani 1 4 d S
Ho8 Ho 0.24416(6) 0.0000 0.25026(7) 0.0140(2) Uani 1 2 d S
Te1 Te 0.19120(8) 0.5000 0.07043(11) 0.0154(3) Uani 1 2 d S
Te2 Te 0.05920(8) 0.0000 0.19041(10) 0.0148(3) Uani 1 2 d S
Te3 Te 0.18734(5) 0.10050(4) 0.06534(8) 0.0134(2) Uani 1 1 d .
Te4 Te 0.18693(6) 0.29921(4) 0.06246(8) 0.0227(2) Uani 1 1 d .
Te5 Te 0.06397(6) 0.19923(4) 0.18796(7) 0.0135(2) Uani 1 1 d .
Te6 Te 0.43856(5) 0.19912(4) 0.31021(7) 0.0141(2) Uani 1 1 d .
Te7 Te 0.31622(5) 0.30348(4) 0.44201(7) 0.0151(2) Uani 1 1 d .
Te8 Te 0.31352(6) 0.10103(4) 0.43835(8) 0.0138(2) Uani 1 1 d .
Te9 Te 0.06110(5) 0.40095(4) 0.18924(7) 0.0133(2) Uani 1 1 d .
Te10 Te 0.43394(8) 0.0000 0.30950(10) 0.0125(3) Uani 1 2 d S
Cl1 Cl 0.5000 0.5000 0.5000 0.0388(19) Uani 1 4 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 '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'
Cl Cl 0.1484 0.1585 '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
Cl1 Cs1 Te4 130.15(3) . .
Cl1 Cs1 Te6 129.82(3) . .
Te4 Cs1 Te6 66.31(2) . .
Cl1 Cs1 Te3 129.83(3) . 7
Te4 Cs1 Te3 66.78(3) . 7
Te6 Cs1 Te3 100.31(3) . 7
Cl1 Cs1 Te5 128.43(3) . 8
Te4 Cs1 Te5 101.42(3) . 8
Te6 Cs1 Te5 65.65(2) . 8
Te3 Cs1 Te5 65.52(2) 7 8
Cl1 Cs1 Te1 82.31(3) . .
Te4 Cs1 Te1 63.43(2) . .
Te6 Cs1 Te1 129.49(3) . .
Te3 Cs1 Te1 64.08(3) 7 .
Te5 Cs1 Te1 129.25(3) 8 .
Cl1 Cs1 Te7 82.10(2) . 2_656
Te4 Cs1 Te7 128.74(3) . 2_656
Te6 Cs1 Te7 62.73(2) . 2_656
Te3 Cs1 Te7 127.34(3) 7 2_656
Te5 Cs1 Te7 62.11(2) 8 2_656
Te1 Cs1 Te7 164.41(3) . 2_656
Cl1 Cs1 Te2 82.18(3) . 3
Te4 Cs1 Te2 128.78(3) . 3
Te6 Cs1 Te2 127.71(3) . 3
Te3 Cs1 Te2 62.32(2) 7 3
Te5 Cs1 Te2 62.31(2) 8 3
Te1 Cs1 Te2 89.08(3) . 3
Te7 Cs1 Te2 88.40(3) 2_656 3
Cl1 Cs1 Te7 81.83(3) . .
Te4 Cs1 Te7 63.66(2) . .
Te6 Cs1 Te7 64.15(2) . .
Te3 Cs1 Te7 130.17(3) 7 .
Te5 Cs1 Te7 129.36(3) 8 .
Te1 Cs1 Te7 89.09(3) . .
Te7 Cs1 Te7 89.11(3) 2_656 .
Te2 Cs1 Te7 164.01(3) 3 .
Cl1 Cs1 Ho5 120.52(3) . 7
Te4 Cs1 Ho5 37.365(17) . 7
Te6 Cs1 Ho5 98.61(3) . 7
Te3 Cs1 Ho5 39.097(17) 7 7
Te5 Cs1 Ho5 99.54(3) 8 7
Te1 Cs1 Ho5 38.212(17) . 7
Te7 Cs1 Ho5 157.38(3) 2_656 7
Te2 Cs1 Ho5 94.44(3) 3 7
Te7 Cs1 Ho5 93.92(3) . 7
Cl1 Cs1 Ho2 120.11(3) . .
Te4 Cs1 Ho2 37.362(17) . .
Te6 Cs1 Ho2 38.903(17) . .
Te3 Cs1 Ho2 99.17(3) 7 .
Te5 Cs1 Ho2 99.72(3) 8 .
Te1 Cs1 Ho2 93.64(2) . .
Te7 Cs1 Ho2 94.52(3) 2_656 .
Te2 Cs1 Ho2 157.71(3) 3 .
Te7 Cs1 Ho2 38.281(16) . .
Ho5 Cs1 Ho2 74.715(19) 7 .
Cl1 Cs1 Cs2 44.897(19) . .
Te4 Cs1 Cs2 85.26(3) . .
Te6 Cs1 Cs2 117.96(3) . .
Te3 Cs1 Cs2 117.78(3) 7 .
Te5 Cs1 Cs2 173.32(3) 8 .
Te1 Cs1 Cs2 53.70(3) . .
Te7 Cs1 Cs2 113.78(3) 2_656 .
Te2 Cs1 Cs2 113.36(3) 3 .
Te7 Cs1 Cs2 53.81(2) . .
Ho5 Cs1 Cs2 85.66(3) 7 .
Ho2 Cs1 Cs2 85.64(2) . .
Cl1 Cs2 Te9 130.90(3) . .
Cl1 Cs2 Te9 130.90(3) . 6_565
Te9 Cs2 Te9 65.05(3) . 6_565
Cl1 Cs2 Te8 129.91(3) . 7_556
Te9 Cs2 Te8 64.91(2) . 7_556
Te9 Cs2 Te8 99.19(4) 6_565 7_556
Cl1 Cs2 Te8 129.91(3) . 4_556
Te9 Cs2 Te8 99.19(4) . 4_556
Te9 Cs2 Te8 64.91(2) 6_565 4_556
Te8 Cs2 Te8 65.75(3) 7_556 4_556
Cl1 Cs2 Te1 83.13(3) . .
Te9 Cs2 Te1 63.31(3) . .
Te9 Cs2 Te1 63.31(3) 6_565 .
Te8 Cs2 Te1 127.94(3) 7_556 .
Te8 Cs2 Te1 127.94(3) 4_556 .
Cl1 Cs2 Te7 82.83(2) . .
Te9 Cs2 Te7 63.564(18) . .
Te9 Cs2 Te7 128.44(4) 6_565 .
Te8 Cs2 Te7 62.280(18) 7_556 .
Te8 Cs2 Te7 127.72(4) 4_556 .
Te1 Cs2 Te7 89.85(2) . .
Cl1 Cs2 Te7 82.83(2) . 6_565
Te9 Cs2 Te7 128.44(4) . 6_565
Te9 Cs2 Te7 63.564(18) 6_565 6_565
Te8 Cs2 Te7 127.72(4) 7_556 6_565
Te8 Cs2 Te7 62.280(18) 4_556 6_565
Te1 Cs2 Te7 89.85(2) . 6_565
Te7 Cs2 Te7 165.59(4) . 6_565
Cl1 Cs2 Te2 82.38(3) . 7_556
Te9 Cs2 Te2 127.84(3) . 7_556
Te9 Cs2 Te2 127.84(3) 6_565 7_556
Te8 Cs2 Te2 63.13(3) 7_556 7_556
Te8 Cs2 Te2 63.13(3) 4_556 7_556
Te1 Cs2 Te2 165.50(4) . 7_556
Te7 Cs2 Te2 88.35(2) . 7_556
Te7 Cs2 Te2 88.35(2) 6_565 7_556
Cl1 Cs2 Cs1 45.600(19) . .
Te9 Cs2 Cs1 85.30(3) . .
Te9 Cs2 Cs1 117.40(4) 6_565 .
Te8 Cs2 Cs1 116.719(18) 7_556 .
Te8 Cs2 Cs1 175.51(4) 4_556 .
Te1 Cs2 Cs1 54.10(2) . .
Te7 Cs2 Cs1 54.46(2) . .
Te7 Cs2 Cs1 114.78(3) 6_565 .
Te2 Cs2 Cs1 114.14(3) 7_556 .
Cl1 Cs2 Cs1 45.600(19) . 6_565
Te9 Cs2 Cs1 117.40(4) . 6_565
Te9 Cs2 Cs1 85.30(3) 6_565 6_565
Te8 Cs2 Cs1 175.51(4) 7_556 6_565
Te8 Cs2 Cs1 116.719(18) 4_556 6_565
Te1 Cs2 Cs1 54.10(2) . 6_565
Te7 Cs2 Cs1 114.78(3) . 6_565
Te7 Cs2 Cs1 54.46(2) 6_565 6_565
Te2 Cs2 Cs1 114.14(3) 7_556 6_565
Cs1 Cs2 Cs1 60.55(3) . 6_565
Cl1 Cs2 Cs1 45.097(19) . 5_666
Te9 Cs2 Cs1 175.98(3) . 5_666
Te9 Cs2 Cs1 117.388(19) 6_565 5_666
Te8 Cs2 Cs1 116.89(4) 7_556 5_666
Te8 Cs2 Cs1 84.82(3) 4_556 5_666
Te1 Cs2 Cs1 114.44(3) . 5_666
Te7 Cs2 Cs1 113.68(3) . 5_666
Te7 Cs2 Cs1 53.83(2) 6_565 5_666
Te2 Cs2 Cs1 53.77(2) 7_556 5_666
Cs1 Cs2 Cs1 90.70(3) . 5_666
Cs1 Cs2 Cs1 60.54(3) 6_565 5_666
Te4 Ho1 Te4 179.03(5) 2 .
Te4 Ho1 Te5 89.29(2) 2 2
Te4 Ho1 Te5 90.01(3) . 2
Te4 Ho1 Te5 90.01(3) 2 .
Te4 Ho1 Te5 89.29(2) . .
Te5 Ho1 Te5 89.43(4) 2 .
Te4 Ho1 Te9 89.57(2) 2 .
Te4 Ho1 Te9 91.11(3) . .
Te5 Ho1 Te9 178.74(2) 2 .
Te5 Ho1 Te9 90.01(2) . .
Te4 Ho1 Te9 91.11(3) 2 2
Te4 Ho1 Te9 89.57(2) . 2
Te5 Ho1 Te9 90.01(2) 2 2
Te5 Ho1 Te9 178.74(2) . 2
Te9 Ho1 Te9 90.57(4) . 2
Te4 Ho2 Te7 93.08(3) . .
Te4 Ho2 Te6 91.98(3) . .
Te7 Ho2 Te6 92.12(3) . .
Te4 Ho2 Te5 91.11(3) . .
Te7 Ho2 Te5 91.80(3) . .
Te6 Ho2 Te5 174.88(3) . .
Te4 Ho2 Te3 90.02(3) . .
Te7 Ho2 Te3 176.81(3) . .
Te6 Ho2 Te3 88.53(3) . .
Te5 Ho2 Te3 87.38(3) . .
Te4 Ho2 Te8 176.89(3) . .
Te7 Ho2 Te8 89.84(3) . .
Te6 Ho2 Te8 88.97(3) . .
Te5 Ho2 Te8 87.74(3) . .
Te3 Ho2 Te8 87.05(3) . .
Te4 Ho2 Cs1 54.10(2) . .
Te7 Ho2 Cs1 60.87(2) . .
Te6 Ho2 Cs1 54.50(2) . .
Te5 Ho2 Cs1 130.52(3) . .
Te3 Ho2 Cs1 121.83(3) . .
Te8 Ho2 Cs1 128.57(3) . .
Te7 Ho3 Te7 93.37(3) 7_556 .
Te7 Ho3 Te8 91.78(3) 7_556 7_556
Te7 Ho3 Te8 89.67(3) . 7_556
Te7 Ho3 Te5 89.43(3) 7_556 .
Te7 Ho3 Te5 92.39(3) . .
Te8 Ho3 Te5 177.54(3) 7_556 .
Te7 Ho3 Te6 89.51(3) 7_556 8_455
Te7 Ho3 Te6 176.59(3) . 8_455
Te8 Ho3 Te6 88.40(3) 7_556 8_455
Te5 Ho3 Te6 89.47(3) . 8_455
Te7 Ho3 Te9 176.25(3) 7_556 .
Te7 Ho3 Te9 90.37(3) . .
Te8 Ho3 Te9 88.51(3) 7_556 .
Te5 Ho3 Te9 90.14(3) . .
Te6 Ho3 Te9 86.77(3) 8_455 .
Te3 Ho4 Te3 177.38(4) . 2
Te3 Ho4 Te2 89.83(3) . 5
Te3 Ho4 Te2 91.98(3) 2 5
Te3 Ho4 Te2 91.98(3) . .
Te3 Ho4 Te2 89.83(3) 2 .
Te2 Ho4 Te2 93.09(4) 5 .
Te3 Ho4 Te5 88.24(2) . .
Te3 Ho4 Te5 89.89(2) 2 .
Te2 Ho4 Te5 177.21(3) 5 .
Te2 Ho4 Te5 88.99(2) . .
Te3 Ho4 Te5 89.89(2) . 2
Te3 Ho4 Te5 88.24(2) 2 2
Te2 Ho4 Te5 88.99(2) 5 2
Te2 Ho4 Te5 177.21(3) . 2
Te5 Ho4 Te5 88.99(4) . 2
Te4 Ho5 Te1 93.12(3) 7 7
Te4 Ho5 Te9 92.30(3) 7 8
Te1 Ho5 Te9 91.46(3) 7 8
Te4 Ho5 Te3 93.54(3) 7 .
Te1 Ho5 Te3 92.40(3) 7 .
Te9 Ho5 Te3 172.82(3) 8 .
Te4 Ho5 Te6 90.44(3) 7 .
Te1 Ho5 Te6 176.25(3) 7 .
Te9 Ho5 Te6 87.21(3) 8 .
Te3 Ho5 Te6 88.57(3) . .
Te4 Ho5 Te10 176.84(3) 7 .
Te1 Ho5 Te10 90.04(3) 7 .
Te9 Ho5 Te10 87.36(3) 8 .
Te3 Ho5 Te10 86.58(3) . .
Te6 Ho5 Te10 86.40(3) . .
Te4 Ho5 Cs1 54.63(2) 7 7
Te1 Ho5 Cs1 60.86(2) 7 7
Te9 Ho5 Cs1 131.73(3) 8 7
Te3 Ho5 Cs1 55.41(2) . 7
Te6 Ho5 Cs1 122.45(3) . 7
Te10 Ho5 Cs1 127.54(3) . 7
Te6 Ho6 Te6 92.82(4) 2_656 .
Te6 Ho6 Te8 91.17(2) 2_656 2_656
Te6 Ho6 Te8 89.49(2) . 2_656
Te6 Ho6 Te8 89.49(2) 2_656 .
Te6 Ho6 Te8 91.17(2) . .
Te8 Ho6 Te8 179.04(4) 2_656 .
Te6 Ho6 Te10 177.76(3) 2_656 .
Te6 Ho6 Te10 88.87(2) . .
Te8 Ho6 Te10 90.32(3) 2_656 .
Te8 Ho6 Te10 89.00(3) . .
Te6 Ho6 Te10 88.87(2) 2_656 5_656
Te6 Ho6 Te10 177.76(3) . 5_656
Te8 Ho6 Te10 89.00(3) 2_656 5_656
Te8 Ho6 Te10 90.32(3) . 5_656
Te10 Ho6 Te10 89.49(4) . 5_656
Te9 Ho7 Te9 180.0 6_565 2
Te9 Ho7 Te9 88.58(3) 6_565 .
Te9 Ho7 Te9 91.42(3) 2 .
Te9 Ho7 Te9 91.42(3) 6_565 5_565
Te9 Ho7 Te9 88.58(3) 2 5_565
Te9 Ho7 Te9 180.00(2) . 5_565
Te9 Ho7 Te1 90.36(2) 6_565 5_565
Te9 Ho7 Te1 89.64(2) 2 5_565
Te9 Ho7 Te1 90.36(2) . 5_565
Te9 Ho7 Te1 89.64(2) 5_565 5_565
Te9 Ho7 Te1 89.64(2) 6_565 .
Te9 Ho7 Te1 90.36(2) 2 .
Te9 Ho7 Te1 89.64(2) . .
Te9 Ho7 Te1 90.36(2) 5_565 .
Te1 Ho7 Te1 180.0 5_565 .
Te2 Ho8 Te8 91.86(3) . .
Te2 Ho8 Te8 91.86(3) . 6
Te8 Ho8 Te8 90.98(4) . 6
Te2 Ho8 Te3 92.09(3) . 6
Te8 Ho8 Te3 176.04(4) . 6
Te8 Ho8 Te3 89.19(2) 6 6
Te2 Ho8 Te3 92.09(3) . .
Te8 Ho8 Te3 89.19(2) . .
Te8 Ho8 Te3 176.04(4) 6 .
Te3 Ho8 Te3 90.36(4) 6 .
Te2 Ho8 Te10 179.49(4) . .
Te8 Ho8 Te10 88.50(3) . .
Te8 Ho8 Te10 88.50(3) 6 .
Te3 Ho8 Te10 87.55(3) 6 .
Te3 Ho8 Te10 87.55(3) . .
Ho5 Te1 Ho5 92.56(4) 7 4
Ho5 Te1 Ho7 89.08(3) 7 .
Ho5 Te1 Ho7 89.08(3) 4 .
Ho5 Te1 Cs2 133.34(2) 7 .
Ho5 Te1 Cs2 133.34(2) 4 .
Ho7 Te1 Cs2 84.55(3) . .
Ho5 Te1 Cs1 134.34(4) 7 6_565
Ho5 Te1 Cs1 80.93(2) 4 6_565
Ho7 Te1 Cs1 135.46(3) . 6_565
Cs2 Te1 Cs1 72.20(3) . 6_565
Ho5 Te1 Cs1 80.93(2) 7 .
Ho5 Te1 Cs1 134.34(4) 4 .
Ho7 Te1 Cs1 135.46(3) . .
Cs2 Te1 Cs1 72.20(3) . .
Cs1 Te1 Cs1 72.68(4) 6_565 .
Ho8 Te2 Ho4 88.09(3) . 5
Ho8 Te2 Ho4 88.09(3) . .
Ho4 Te2 Ho4 86.91(4) 5 .
Ho8 Te2 Cs1 134.74(3) . 3_445
Ho4 Te2 Cs1 84.55(2) 5 3_445
Ho4 Te2 Cs1 135.74(4) . 3_445
Ho8 Te2 Cs1 134.74(3) . 8_455
Ho4 Te2 Cs1 135.74(4) 5 8_455
Ho4 Te2 Cs1 84.55(2) . 8_455
Cs1 Te2 Cs1 72.27(3) 3_445 8_455
Ho8 Te2 Cs2 83.02(3) . 7_556
Ho4 Te2 Cs2 135.70(2) 5 7_556
Ho4 Te2 Cs2 135.70(2) . 7_556
Cs1 Te2 Cs2 72.10(3) 3_445 7_556
Cs1 Te2 Cs2 72.10(3) 8_455 7_556
Ho4 Te3 Ho8 87.79(3) . .
Ho4 Te3 Ho5 175.60(3) . .
Ho8 Te3 Ho5 94.59(3) . .
Ho4 Te3 Ho2 92.25(3) . .
Ho8 Te3 Ho2 92.11(3) . .
Ho5 Te3 Ho2 91.36(3) . .
Ho4 Te3 Cs1 90.30(3) . 7
Ho8 Te3 Cs1 140.07(3) . 7
Ho5 Te3 Cs1 85.50(3) . 7
Ho2 Te3 Cs1 127.83(3) . 7
Ho5 Te4 Ho2 176.04(4) 7 .
Ho5 Te4 Ho1 90.40(3) 7 .
Ho2 Te4 Ho1 91.02(3) . .
Ho5 Te4 Cs1 88.00(3) 7 .
Ho2 Te4 Cs1 88.53(3) . .
Ho1 Te4 Cs1 139.88(4) . .
Ho3 Te5 Ho2 87.69(3) . .
Ho3 Te5 Ho1 90.41(3) . .
Ho2 Te5 Ho1 88.51(2) . .
Ho3 Te5 Ho4 178.78(4) . .
Ho2 Te5 Ho4 92.10(2) . .
Ho1 Te5 Ho4 90.79(3) . .
Ho3 Te5 Cs1 89.86(3) . 8_455
Ho2 Te5 Cs1 142.99(3) . 8_455
Ho1 Te5 Cs1 128.45(3) . 8_455
Ho4 Te5 Cs1 89.58(3) . 8_455
Ho6 Te6 Ho2 90.59(2) . .
Ho6 Te6 Ho3 90.78(2) . 8
Ho2 Te6 Ho3 175.95(4) . 8
Ho6 Te6 Ho5 93.68(3) . .
Ho2 Te6 Ho5 91.24(3) . .
Ho3 Te6 Ho5 92.48(3) 8 .
Ho6 Te6 Cs1 138.62(3) . .
Ho2 Te6 Cs1 86.60(3) . .
Ho3 Te6 Cs1 89.86(3) 8 .
Ho5 Te6 Cs1 127.63(3) . .
Ho3 Te7 Ho3 86.63(3) 7_556 .
Ho3 Te7 Ho2 89.98(3) 7_556 .
Ho3 Te7 Ho2 88.11(3) . .
Ho3 Te7 Cs2 136.10(3) 7_556 .
Ho3 Te7 Cs2 85.04(3) . .
Ho2 Te7 Cs2 132.60(3) . .
Ho3 Te7 Cs1 84.76(3) 7_556 2_656
Ho3 Te7 Cs1 136.63(3) . 2_656
Ho2 Te7 Cs1 134.21(3) . 2_656
Cs2 Te7 Cs1 72.64(3) . 2_656
Ho3 Te7 Cs1 136.50(3) 7_556 .
Ho3 Te7 Cs1 134.87(3) . .
Ho2 Te7 Cs1 80.85(3) . .
Cs2 Te7 Cs1 71.73(3) . .
Cs1 Te7 Cs1 72.61(3) 2_656 .
Ho6 Te8 Ho3 91.26(3) . 7_556
Ho6 Te8 Ho8 92.43(3) . .
Ho3 Te8 Ho8 176.31(3) 7_556 .
Ho6 Te8 Ho2 89.16(3) . .
Ho3 Te8 Ho2 88.35(3) 7_556 .
Ho8 Te8 Ho2 91.62(3) . .
Ho6 Te8 Cs2 130.48(3) . 7_556
Ho3 Te8 Cs2 89.60(3) 7_556 7_556
Ho8 Te8 Cs2 88.07(3) . 7_556
Ho2 Te8 Cs2 140.35(3) . 7_556
Ho5 Te9 Ho7 89.03(2) 8_455 .
Ho5 Te9 Ho1 87.65(2) 8_455 .
Ho7 Te9 Ho1 89.01(3) . .
Ho5 Te9 Ho3 93.37(3) 8_455 .
Ho7 Te9 Ho3 177.06(3) . .
Ho1 Te9 Ho3 89.40(3) . .
Ho5 Te9 Cs2 133.86(3) 8_455 .
Ho7 Te9 Cs2 89.84(3) . .
Ho1 Te9 Cs2 138.45(3) . .
Ho3 Te9 Cs2 89.71(3) . .
Ho6 Te10 Ho6 90.51(4) . 5_656
Ho6 Te10 Ho8 90.08(3) . .
Ho6 Te10 Ho8 90.08(3) 5_656 .
Ho6 Te10 Ho5 177.97(4) . 6
Ho6 Te10 Ho5 91.046(18) 5_656 6
Ho8 Te10 Ho5 91.23(3) . 6
Ho6 Te10 Ho5 91.046(18) . .
Ho6 Te10 Ho5 177.97(4) 5_656 .
Ho8 Te10 Ho5 91.23(3) . .
Ho5 Te10 Ho5 87.37(3) 6 .
Cs2 Cl1 Cs2 180.000(14) . 5_666
Cs2 Cl1 Cs1 89.50(3) . .
Cs2 Cl1 Cs1 90.50(3) 5_666 .
Cs2 Cl1 Cs1 90.50(3) . 5_666
Cs2 Cl1 Cs1 89.50(3) 5_666 5_666
Cs1 Cl1 Cs1 180.0 . 5_666
Cs2 Cl1 Cs1 90.50(3) . 2_656
Cs2 Cl1 Cs1 89.50(3) 5_666 2_656
Cs1 Cl1 Cs1 90.24(4) . 2_656
Cs1 Cl1 Cs1 89.76(4) 5_666 2_656
Cs2 Cl1 Cs1 89.50(3) . 6_565
Cs2 Cl1 Cs1 90.50(3) 5_666 6_565
Cs1 Cl1 Cs1 89.76(4) . 6_565
Cs1 Cl1 Cs1 90.24(4) 5_666 6_565
Cs1 Cl1 Cs1 180.0 2_656 6_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 Cl1 3.5781(11) .
Cs1 Te4 3.9305(15) .
Cs1 Te6 3.9558(14) .
Cs1 Te3 3.9777(15) 7
Cs1 Te5 3.9809(14) 8
Cs2 Cl1 3.5348(14) .
Cs2 Te9 3.9581(15) .
Cs2 Te9 3.9581(15) 6_565
Cs2 Te8 3.9993(15) 7_556
Cs2 Te8 3.9993(15) 4_556
Ho1 Te4 3.0341(9) 2
Ho1 Te4 3.0341(9) .
Ho1 Te5 3.0593(10) 2
Ho1 Te5 3.0593(10) .
Ho1 Te9 3.0703(10) .
Ho1 Te9 3.0703(10) 2
Ho2 Te4 2.9444(11) .
Ho2 Te7 3.0436(10) .
Ho2 Te6 3.0514(10) .
Ho2 Te5 3.0529(11) .
Ho2 Te3 3.0909(10) .
Ho2 Te8 3.1166(10) .
Ho3 Te7 3.0218(10) 7_556
Ho3 Te7 3.0263(11) .
Ho3 Te8 3.0368(10) 7_556
Ho3 Te5 3.0397(10) .
Ho3 Te6 3.0727(10) 8_455
Ho3 Te9 3.0828(10) .
Ho4 Te3 3.0250(9) .
Ho4 Te3 3.0250(9) 2
Ho4 Te2 3.0390(10) 5
Ho4 Te2 3.0390(10) .
Ho4 Te5 3.0710(10) .
Ho4 Te5 3.0710(10) 2
Ho5 Te4 2.9252(10) 7
Ho5 Te1 3.0174(10) 7
Ho5 Te9 3.0373(11) 8
Ho5 Te3 3.0473(10) .
Ho5 Te6 3.0930(10) .
Ho5 Te10 3.1575(10) .
Ho6 Te6 3.0200(10) 2_656
Ho6 Te6 3.0200(10) .
Ho6 Te8 3.0310(9) 2_656
Ho6 Te8 3.0310(9) .
Ho6 Te10 3.0920(10) .
Ho6 Te10 3.0920(10) 5_656
Ho7 Te9 3.0479(8) 6_565
Ho7 Te9 3.0479(8) 2
Ho7 Te9 3.0479(8) .
Ho7 Te9 3.0479(8) 5_565
Ho7 Te1 3.0645(12) 5_565
Ho7 Te1 3.0645(12) .
Ho8 Te2 3.0141(14) .
Ho8 Te8 3.0440(10) .
Ho8 Te8 3.0440(10) 6
Ho8 Te3 3.0444(10) 6
Ho8 Te3 3.0444(10) .
Ho8 Te10 3.1064(14) .
Te1 Ho5 3.0174(10) 7
Te1 Ho5 3.0174(10) 4
Te2 Ho4 3.0390(10) 5
Te3 Cs1 3.9777(15) 7
Te4 Ho5 2.9252(10) 7
Te5 Cs1 3.9809(14) 8_455
Te6 Ho3 3.0727(10) 8
Te7 Ho3 3.0218(10) 7_556
Te8 Ho3 3.0368(10) 7_556
Te8 Cs2 3.9993(15) 7_556
Te9 Ho5 3.0373(11) 8_455
Te10 Ho6 3.0920(10) 5_656
Te10 Ho5 3.1575(10) 6
Cl1 Cs2 3.5348(14) 5_666
Cl1 Cs1 3.5781(11) 5_666
Cl1 Cs1 3.5781(11) 2_656
Cl1 Cs1 3.5781(11) 6_565
