#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179320 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/17/4321710.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_4321710
loop_
_publ_author_name
'Olivier Tougait'
'James A. Ibers'
_publ_contact_author_address
; Department of Chemistry
  Northwestern University
  2145 Sheridan Rd.
  Evanston, IL 60208-3113, USA
;
_publ_contact_author_email       ibers@chem.nwu.edu
_publ_contact_author_fax         (847)491-2976
_publ_contact_author_name        'James A. Ibers'
_publ_contact_author_phone       (847)491-5449
_publ_section_title
;
 New Series CrLn8Te13Cl (Ln = Sm, Gd, Tb): Pseudo-Misfit-Layer Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6136
_journal_page_last               6138
_journal_paper_doi               10.1021/ic000817t
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Cl Cr Sm8 Te13'
_chemical_formula_weight         2949.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_atom_sites_solution_hydrogens   geom
_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            4
_cell_length_a                   4.2281(7)
_cell_length_b                   26.575(4)
_cell_length_c                   23.829(4)
_cell_measurement_reflns_used    969
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.535
_cell_measurement_theta_min      4.911
_cell_volume                     2677.5(7)
_computing_cell_refinement       'SMART version 5.054 (Bruker, 1999)'
_computing_data_collection       'SMART version 5.054 (Bruker, 1999)'
_computing_data_reduction        'SAINT-Plus version 6.01 (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Brucker Sarmt 1000 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'standard-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            16139
_diffrn_reflns_theta_full        29.01
_diffrn_reflns_theta_max         29.01
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    31.603
_exptl_absorpt_correction_T_max  0.737
_exptl_absorpt_correction_T_min  0.086
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed (Sheldrick,1997)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4852
_exptl_crystal_size_max          0.386
_exptl_crystal_size_mid          0.014
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.972
_refine_diff_density_min         -3.629
_refine_diff_density_rms         0.906
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.110(16)
_refine_ls_extinction_coef       0.000026(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         3749
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          2.291
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc 
w = 1/[σ²(Fo²)+(0.04Fo²)²]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0599
_refine_ls_wR_factor_ref         0.0623
_reflns_number_gt                3460
_reflns_number_total             3749
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000817t_2.cif
_cod_data_source_block           CrSm8Te13Cl
_cod_original_cell_volume        2677.4(8)
_cod_database_code               4321710
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, z+1/2'
'-x, y, z'
'x+1/2, y+1/2, 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'
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
Sm1 Sm 0.0000 0.01798(3) -0.22262(3) 0.00767(15) Uani 1 2 d S . .
Sm2 Sm 0.0000 0.05257(3) -0.55595(3) 0.00750(15) Uani 1 2 d S . .
Sm3 Sm 0.0000 0.10726(3) -0.38430(3) 0.00729(15) Uani 1 2 d S . .
Sm4 Sm 0.0000 0.14815(3) -0.71765(3) 0.00745(16) Uani 1 2 d S . .
Sm5 Sm 0.0000 0.27469(3) -0.40481(3) 0.00762(16) Uani 1 2 d S . .
Sm6 Sm 0.0000 0.44021(3) -0.39733(3) 0.00769(16) Uani 1 2 d S . .
Sm7 Sm 0.0000 0.63204(3) -0.06533(3) 0.00737(15) Uani 1 2 d S . .
Sm8 Sm 0.0000 0.69266(3) -0.23252(3) 0.00716(16) Uani 1 2 d S . .
Te1 Te 0.0000 0.06227(3) 0.00026(4) 0.00695(19) Uani 1 2 d S . .
Te2 Te 0.0000 0.13069(3) -0.16328(4) 0.0073(2) Uani 1 2 d S . .
Te3 Te 0.0000 0.14408(3) -0.85858(4) 0.00689(19) Uani 1 2 d S . .
Te4 Te 0.0000 0.17328(3) -0.49607(4) 0.00840(18) Uani 1 2 d S . .
Te5 Te 0.0000 0.20256(3) -0.00199(4) 0.00734(18) Uani 1 2 d S . .
Te6 Te 0.0000 0.24438(4) -0.62271(4) 0.00862(18) Uani 1 2 d S . .
Te7 Te 0.0000 0.27423(3) -0.26488(4) 0.0067(2) Uani 1 2 d S . .
Te8 Te 0.0000 0.37676(4) -0.11962(4) 0.00717(18) Uani 1 2 d S . .
Te9 Te 0.0000 0.43354(3) -0.25935(4) 0.0076(2) Uani 1 2 d S . .
Te10 Te 0.0000 0.51787(3) -0.12162(4) 0.00703(18) Uani 1 2 d S . .
Te11 Te 0.0000 0.55082(3) -0.45877(4) 0.00705(19) Uani 1 2 d S . .
Te12 Te 0.0000 0.58539(3) -0.28559(4) 0.00796(19) Uani 1 2 d S . .
Te13 Te 0.0000 0.69536(3) -0.36554(4) 0.00757(19) Uani 1 2 d S . .
Cr1 Cr 0.0000 0.29086(9) -0.05919(11) 0.0066(4) Uani 1 2 d S . .
Cl1 Cl 0.0000 -0.00017(12) -0.35206(14) 0.0039(6) Uani 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
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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'
Sm Sm -0.1638 3.4418 '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
Cl1 Sm1 Te12 67.50(5) . 5_545 ?
Cl1 Sm1 Te12 67.50(5) . 5_445 ?
Te12 Sm1 Te12 84.27(3) 5_545 5_445 ?
Cl1 Sm1 Te10 137.913(19) . 5_545 ?
Te12 Sm1 Te10 85.15(2) 5_545 5_545 ?
Te12 Sm1 Te10 143.23(3) 5_445 5_545 ?
Cl1 Sm1 Te10 137.91(2) . 5_445 ?
Te12 Sm1 Te10 143.23(3) 5_545 5_445 ?
Te12 Sm1 Te10 85.15(2) 5_445 5_445 ?
Te10 Sm1 Te10 82.59(3) 5_545 5_445 ?
Cl1 Sm1 Te9 67.79(5) . 5_445 ?
Te12 Sm1 Te9 135.28(4) 5_545 5_445 ?
Te12 Sm1 Te9 79.95(2) 5_445 5_445 ?
Te10 Sm1 Te9 129.78(3) 5_545 5_445 ?
Te10 Sm1 Te9 76.66(2) 5_445 5_445 ?
Cl1 Sm1 Te9 67.79(5) . 5_545 ?
Te12 Sm1 Te9 79.95(2) 5_545 5_545 ?
Te12 Sm1 Te9 135.28(4) 5_445 5_545 ?
Te10 Sm1 Te9 76.66(2) 5_545 5_545 ?
Te10 Sm1 Te9 129.78(3) 5_445 5_545 ?
Te9 Sm1 Te9 82.54(3) 5_445 5_545 ?
Cl1 Sm1 Te2 124.16(6) . . ?
Te12 Sm1 Te2 71.89(3) 5_545 . ?
Te12 Sm1 Te2 71.89(3) 5_445 . ?
Te10 Sm1 Te2 71.34(2) 5_545 . ?
Te10 Sm1 Te2 71.34(2) 5_445 . ?
Te9 Sm1 Te2 138.573(16) 5_445 . ?
Te9 Sm1 Te2 138.573(16) 5_545 . ?
Te11 Sm2 Te11 84.78(3) 5_545 5_445 ?
Te11 Sm2 Te8 85.05(2) 5_545 6_554 ?
Te11 Sm2 Te8 143.31(3) 5_445 6_554 ?
Te11 Sm2 Te8 143.31(3) 5_545 6_454 ?
Te11 Sm2 Te8 85.05(2) 5_445 6_454 ?
Te8 Sm2 Te8 82.41(3) 6_554 6_454 ?
Te11 Sm2 Te10 142.26(3) 5_545 6_454 ?
Te11 Sm2 Te10 84.72(2) 5_445 6_454 ?
Te8 Sm2 Te10 122.79(3) 6_554 6_454 ?
Te8 Sm2 Te10 71.26(3) 6_454 6_454 ?
Te11 Sm2 Te10 84.72(2) 5_545 6_554 ?
Te11 Sm2 Te10 142.26(3) 5_445 6_554 ?
Te8 Sm2 Te10 71.26(3) 6_554 6_554 ?
Te8 Sm2 Te10 122.79(3) 6_454 6_554 ?
Te10 Sm2 Te10 81.81(3) 6_454 6_554 ?
Te11 Sm2 Te1 71.92(2) 5_545 2_554 ?
Te11 Sm2 Te1 71.92(2) 5_445 2_554 ?
Te8 Sm2 Te1 136.543(17) 6_554 2_554 ?
Te8 Sm2 Te1 136.543(17) 6_454 2_554 ?
Te10 Sm2 Te1 70.36(2) 6_454 2_554 ?
Te10 Sm2 Te1 70.36(2) 6_554 2_554 ?
Te11 Sm2 Te4 73.35(2) 5_545 . ?
Te11 Sm2 Te4 73.35(2) 5_445 . ?
Te8 Sm2 Te4 69.96(3) 6_554 . ?
Te8 Sm2 Te4 69.96(3) 6_454 . ?
Te10 Sm2 Te4 136.618(17) 6_454 . ?
Te10 Sm2 Te4 136.618(17) 6_554 . ?
Te1 Sm2 Te4 132.33(3) 2_554 . ?
Cl1 Sm3 Te11 71.68(5) . 5_445 ?
Cl1 Sm3 Te11 71.68(5) . 5_545 ?
Te11 Sm3 Te11 84.60(3) 5_445 5_545 ?
Cl1 Sm3 Te13 132.31(4) . 5_545 ?
Te11 Sm3 Te13 151.24(4) 5_445 5_545 ?
Te11 Sm3 Te13 89.06(2) 5_545 5_545 ?
Cl1 Sm3 Te13 132.31(4) . 5_445 ?
Te11 Sm3 Te13 89.06(2) 5_445 5_445 ?
Te11 Sm3 Te13 151.24(4) 5_545 5_445 ?
Te13 Sm3 Te13 83.14(3) 5_545 5_445 ?
Cl1 Sm3 Te4 138.44(7) . . ?
Te11 Sm3 Te4 77.93(3) 5_445 . ?
Te11 Sm3 Te4 77.93(3) 5_545 . ?
Te13 Sm3 Te4 73.31(3) 5_545 . ?
Te13 Sm3 Te4 73.31(3) 5_445 . ?
Cl1 Sm3 Te12 68.62(5) . 5_545 ?
Te11 Sm3 Te12 140.30(3) 5_445 5_545 ?
Te11 Sm3 Te12 83.37(2) 5_545 5_545 ?
Te13 Sm3 Te12 66.04(2) 5_545 5_545 ?
Te13 Sm3 Te12 117.80(3) 5_445 5_545 ?
Te4 Sm3 Te12 135.256(19) . 5_545 ?
Cl1 Sm3 Te12 68.62(5) . 5_445 ?
Te11 Sm3 Te12 83.37(2) 5_445 5_445 ?
Te11 Sm3 Te12 140.30(3) 5_545 5_445 ?
Te13 Sm3 Te12 117.80(3) 5_545 5_445 ?
Te13 Sm3 Te12 66.04(2) 5_445 5_445 ?
Te4 Sm3 Te12 135.256(19) . 5_445 ?
Te12 Sm3 Te12 82.21(3) 5_545 5_445 ?
Te7 Sm4 Te7 83.95(3) 6_554 6_454 ?
Te7 Sm4 Te9 140.96(4) 6_554 6_454 ?
Te7 Sm4 Te9 83.68(2) 6_454 6_454 ?
Te7 Sm4 Te9 83.68(2) 6_554 6_554 ?
Te7 Sm4 Te9 140.96(4) 6_454 6_554 ?
Te9 Sm4 Te9 83.05(3) 6_454 6_554 ?
Te7 Sm4 Te8 87.33(2) 6_554 6_554 ?
Te7 Sm4 Te8 146.28(3) 6_454 6_554 ?
Te9 Sm4 Te8 121.43(3) 6_454 6_554 ?
Te9 Sm4 Te8 69.56(3) 6_554 6_554 ?
Te7 Sm4 Te8 146.28(3) 6_554 6_454 ?
Te7 Sm4 Te8 87.33(2) 6_454 6_454 ?
Te9 Sm4 Te8 69.56(3) 6_454 6_454 ?
Te9 Sm4 Te8 121.43(3) 6_554 6_454 ?
Te8 Sm4 Te8 82.09(3) 6_554 6_454 ?
Te7 Sm4 Te3 70.44(3) 6_554 . ?
Te7 Sm4 Te3 70.44(3) 6_454 . ?
Te9 Sm4 Te3 70.52(2) 6_454 . ?
Te9 Sm4 Te3 70.52(2) 6_554 . ?
Te8 Sm4 Te3 135.94(2) 6_554 . ?
Te8 Sm4 Te3 135.94(2) 6_454 . ?
Te7 Sm4 Te6 75.35(3) 6_554 . ?
Te7 Sm4 Te6 75.35(3) 6_454 . ?
Te9 Sm4 Te6 135.755(19) 6_454 . ?
Te9 Sm4 Te6 135.755(19) 6_554 . ?
Te8 Sm4 Te6 70.93(3) 6_554 . ?
Te8 Sm4 Te6 70.93(3) 6_454 . ?
Te3 Sm4 Te6 133.34(3) . . ?
Te13 Sm5 Te13 85.02(3) 5_445 5_545 ?
Te13 Sm5 Te5 84.10(2) 5_445 6_454 ?
Te13 Sm5 Te5 142.35(3) 5_545 6_454 ?
Te13 Sm5 Te5 142.35(3) 5_445 6_554 ?
Te13 Sm5 Te5 84.10(2) 5_545 6_554 ?
Te5 Sm5 Te5 82.91(3) 6_454 6_554 ?
Te13 Sm5 Te3 142.56(4) 5_445 6 ?
Te13 Sm5 Te3 84.58(2) 5_545 6 ?
Te5 Sm5 Te3 123.81(3) 6_454 6 ?
Te5 Sm5 Te3 71.71(3) 6_554 6 ?
Te13 Sm5 Te3 84.58(2) 5_445 6_455 ?
Te13 Sm5 Te3 142.56(4) 5_545 6_455 ?
Te5 Sm5 Te3 71.71(3) 6_454 6_455 ?
Te5 Sm5 Te3 123.81(3) 6_554 6_455 ?
Te3 Sm5 Te3 82.20(3) 6 6_455 ?
Te13 Sm5 Te7 72.45(2) 5_445 . ?
Te13 Sm5 Te7 72.45(2) 5_545 . ?
Te5 Sm5 Te7 136.542(19) 6_454 . ?
Te5 Sm5 Te7 136.542(19) 6_554 . ?
Te3 Sm5 Te7 70.12(2) 6 . ?
Te3 Sm5 Te7 70.12(2) 6_455 . ?
Te13 Sm5 Te4 70.34(3) 5_445 . ?
Te13 Sm5 Te4 70.34(3) 5_545 . ?
Te5 Sm5 Te4 72.06(3) 6_454 . ?
Te5 Sm5 Te4 72.06(3) 6_554 . ?
Te3 Sm5 Te4 137.516(17) 6 . ?
Te3 Sm5 Te4 137.516(17) 6_455 . ?
Te7 Sm5 Te4 128.69(3) . . ?
Cl1 Sm6 Cl1 95.61(10) 5 5_455 ?
Cl1 Sm6 Te3 139.94(7) 5 6_455 ?
Cl1 Sm6 Te3 77.95(6) 5_455 6_455 ?
Cl1 Sm6 Te3 77.95(6) 5 6 ?
Cl1 Sm6 Te3 139.94(7) 5_455 6 ?
Te3 Sm6 Te3 82.21(3) 6_455 6 ?
Cl1 Sm6 Te1 141.44(7) 5 6_454 ?
Cl1 Sm6 Te1 79.16(6) 5_455 6_454 ?
Te3 Sm6 Te1 76.84(2) 6_455 6_454 ?
Te3 Sm6 Te1 129.28(3) 6 6_454 ?
Cl1 Sm6 Te1 79.16(6) 5 6_554 ?
Cl1 Sm6 Te1 141.44(7) 5_455 6_554 ?
Te3 Sm6 Te1 129.28(3) 6_455 6_554 ?
Te3 Sm6 Te1 76.84(2) 6 6_554 ?
Te1 Sm6 Te1 81.78(3) 6_454 6_554 ?
Cl1 Sm6 Te11 70.82(6) 5 . ?
Cl1 Sm6 Te11 70.82(6) 5_455 . ?
Te3 Sm6 Te11 138.728(16) 6_455 . ?
Te3 Sm6 Te11 138.728(16) 6 . ?
Te1 Sm6 Te11 71.42(2) 6_454 . ?
Te1 Sm6 Te11 71.42(2) 6_554 . ?
Cl1 Sm6 Te9 69.66(7) 5 . ?
Cl1 Sm6 Te9 69.66(7) 5_455 . ?
Te3 Sm6 Te9 71.08(3) 6_455 . ?
Te3 Sm6 Te9 71.08(3) 6 . ?
Te1 Sm6 Te9 138.893(16) 6_454 . ?
Te1 Sm6 Te9 138.893(16) 6_554 . ?
Te11 Sm6 Te9 119.57(3) . . ?
Te2 Sm7 Te2 84.33(3) 5_455 5 ?
Te2 Sm7 Te5 143.03(3) 5_455 5 ?
Te2 Sm7 Te5 85.00(2) 5 5 ?
Te2 Sm7 Te5 85.00(2) 5_455 5_455 ?
Te2 Sm7 Te5 143.03(3) 5 5_455 ?
Te5 Sm7 Te5 82.60(3) 5 5_455 ?
Te2 Sm7 Te1 84.97(2) 5_455 5_455 ?
Te2 Sm7 Te1 142.62(3) 5 5_455 ?
Te5 Sm7 Te1 122.82(4) 5 5_455 ?
Te5 Sm7 Te1 71.01(3) 5_455 5_455 ?
Te2 Sm7 Te1 142.62(3) 5_455 5 ?
Te2 Sm7 Te1 84.97(2) 5 5 ?
Te5 Sm7 Te1 71.01(3) 5 5 ?
Te5 Sm7 Te1 122.82(4) 5_455 5 ?
Te1 Sm7 Te1 82.16(3) 5_455 5 ?
Te2 Sm7 Te10 71.94(2) 5_455 . ?
Te2 Sm7 Te10 71.94(2) 5 . ?
Te5 Sm7 Te10 136.526(18) 5 . ?
Te5 Sm7 Te10 136.526(18) 5_455 . ?
Te1 Sm7 Te10 70.69(2) 5_455 . ?
Te1 Sm7 Te10 70.69(2) 5 . ?
Te2 Sm7 Te6 74.08(2) 5_455 2_565 ?
Te2 Sm7 Te6 74.08(2) 5 2_565 ?
Te5 Sm7 Te6 68.96(3) 5 2_565 ?
Te5 Sm7 Te6 68.96(3) 5_455 2_565 ?
Te1 Sm7 Te6 135.955(18) 5_455 2_565 ?
Te1 Sm7 Te6 135.955(18) 5 2_565 ?
Te10 Sm7 Te6 133.54(3) . 2_565 ?
Te6 Sm8 Te12 146.52(4) 2_565 . ?
Te6 Sm8 Te7 80.46(3) 2_565 5 ?
Te12 Sm8 Te7 122.28(3) . 5 ?
Te6 Sm8 Te7 80.46(3) 2_565 5_455 ?
Te12 Sm8 Te7 122.28(3) . 5_455 ?
Te7 Sm8 Te7 85.16(3) 5 5_455 ?
Te6 Sm8 Te2 80.81(3) 2_565 5_455 ?
Te12 Sm8 Te2 74.59(3) . 5_455 ?
Te7 Sm8 Te2 161.26(4) 5 5_455 ?
Te7 Sm8 Te2 92.17(2) 5_455 5_455 ?
Te6 Sm8 Te2 80.81(3) 2_565 5 ?
Te12 Sm8 Te2 74.59(3) . 5 ?
Te7 Sm8 Te2 92.17(2) 5 5 ?
Te7 Sm8 Te2 161.26(4) 5_455 5 ?
Te2 Sm8 Te2 84.41(3) 5_455 5 ?
Te6 Sm8 Te13 146.11(4) 2_565 . ?
Te12 Sm8 Te13 67.37(3) . . ?
Te7 Sm8 Te13 74.79(2) 5 . ?
Te7 Sm8 Te13 74.79(2) 5_455 . ?
Te2 Sm8 Te13 122.41(3) 5_455 . ?
Te2 Sm8 Te13 122.41(3) 5 . ?
Sm7 Te1 Sm7 82.16(3) 5_545 5_445 ?
Sm7 Te1 Sm6 87.06(2) 5_545 6 ?
Sm7 Te1 Sm6 144.00(3) 5_445 6 ?
Sm7 Te1 Sm6 144.00(3) 5_545 6_455 ?
Sm7 Te1 Sm6 87.06(2) 5_445 6_455 ?
Sm6 Te1 Sm6 81.78(3) 6 6_455 ?
Sm7 Te1 Sm2 109.42(3) 5_545 2 ?
Sm7 Te1 Sm2 109.42(3) 5_445 2 ?
Sm6 Te1 Sm2 106.56(3) 6 2 ?
Sm6 Te1 Sm2 106.56(3) 6_455 2 ?
Sm8 Te2 Sm8 84.41(3) 5_545 5_445 ?
Sm8 Te2 Sm7 86.08(2) 5_545 5_545 ?
Sm8 Te2 Sm7 146.46(4) 5_445 5_545 ?
Sm8 Te2 Sm7 146.46(4) 5_545 5_445 ?
Sm8 Te2 Sm7 86.08(2) 5_445 5_445 ?
Sm7 Te2 Sm7 84.33(3) 5_545 5_445 ?
Sm8 Te2 Sm1 104.45(3) 5_545 . ?
Sm8 Te2 Sm1 104.45(3) 5_445 . ?
Sm7 Te2 Sm1 109.07(3) 5_545 . ?
Sm7 Te2 Sm1 109.07(3) 5_445 . ?
Sm6 Te3 Sm6 82.21(3) 6_454 6_554 ?
Sm6 Te3 Sm5 143.27(4) 6_454 6_554 ?
Sm6 Te3 Sm5 86.39(2) 6_554 6_554 ?
Sm6 Te3 Sm5 86.39(2) 6_454 6_454 ?
Sm6 Te3 Sm5 143.27(4) 6_554 6_454 ?
Sm5 Te3 Sm5 82.20(3) 6_554 6_454 ?
Sm6 Te3 Sm4 108.02(3) 6_454 . ?
Sm6 Te3 Sm4 108.02(3) 6_554 . ?
Sm5 Te3 Sm4 108.71(3) 6_554 . ?
Sm5 Te3 Sm4 108.71(3) 6_454 . ?
Cr1 Te4 Cr1 99.79(9) 6_454 6_554 ?
Cr1 Te4 Sm3 130.10(5) 6_454 . ?
Cr1 Te4 Sm3 130.10(4) 6_554 . ?
Cr1 Te4 Sm5 94.21(6) 6_454 . ?
Cr1 Te4 Sm5 94.21(6) 6_554 . ?
Sm3 Te4 Sm5 84.48(3) . . ?
Cr1 Te4 Sm2 95.39(6) 6_454 . ?
Cr1 Te4 Sm2 95.39(6) 6_554 . ?
Sm3 Te4 Sm2 80.60(3) . . ?
Sm5 Te4 Sm2 165.08(3) . . ?
Cr1 Te5 Sm5 101.56(5) . 6 ?
Cr1 Te5 Sm5 101.56(5) . 6_455 ?
Sm5 Te5 Sm5 82.91(3) 6 6_455 ?
Cr1 Te5 Sm7 105.62(5) . 5_445 ?
Sm5 Te5 Sm7 152.80(4) 6 5_445 ?
Sm5 Te5 Sm7 90.89(2) 6_455 5_445 ?
Cr1 Te5 Sm7 105.62(5) . 5_545 ?
Sm5 Te5 Sm7 90.89(2) 6 5_545 ?
Sm5 Te5 Sm7 152.80(4) 6_455 5_545 ?
Sm7 Te5 Sm7 82.60(3) 5_445 5_545 ?
Cr1 Te6 Cr1 99.81(9) 6_554 6_454 ?
Cr1 Te6 Sm8 130.09(5) 6_554 2_564 ?
Cr1 Te6 Sm8 130.09(5) 6_454 2_564 ?
Cr1 Te6 Sm4 96.26(6) 6_554 . ?
Cr1 Te6 Sm4 96.26(6) 6_454 . ?
Sm8 Te6 Sm4 81.10(3) 2_564 . ?
Cr1 Te6 Sm7 95.87(6) 6_554 2_564 ?
Cr1 Te6 Sm7 95.87(6) 6_454 2_564 ?
Sm8 Te6 Sm7 80.01(3) 2_564 2_564 ?
Sm4 Te6 Sm7 161.11(3) . 2_564 ?
Sm8 Te7 Sm8 85.16(3) 5_445 5_545 ?
Sm8 Te7 Sm4 144.82(4) 5_445 6 ?
Sm8 Te7 Sm4 84.97(2) 5_545 6 ?
Sm8 Te7 Sm4 84.97(2) 5_445 6_455 ?
Sm8 Te7 Sm4 144.82(4) 5_545 6_455 ?
Sm4 Te7 Sm4 83.95(3) 6 6_455 ?
Sm8 Te7 Sm5 104.44(3) 5_445 . ?
Sm8 Te7 Sm5 104.44(3) 5_545 . ?
Sm4 Te7 Sm5 110.71(3) 6 . ?
Sm4 Te7 Sm5 110.71(3) 6_455 . ?
Cr1 Te8 Sm2 104.05(5) . 6 ?
Cr1 Te8 Sm2 104.05(5) . 6_455 ?
Sm2 Te8 Sm2 82.41(3) 6 6_455 ?
Cr1 Te8 Sm4 102.31(5) . 6_455 ?
Sm2 Te8 Sm4 153.64(4) 6 6_455 ?
Sm2 Te8 Sm4 91.765(19) 6_455 6_455 ?
Cr1 Te8 Sm4 102.31(5) . 6 ?
Sm2 Te8 Sm4 91.765(19) 6 6 ?
Sm2 Te8 Sm4 153.64(4) 6_455 6 ?
Sm4 Te8 Sm4 82.09(3) 6_455 6 ?
Sm4 Te9 Sm4 83.05(3) 6_455 6 ?
Sm4 Te9 Sm1 145.98(4) 6_455 5 ?
Sm4 Te9 Sm1 87.38(2) 6 5 ?
Sm4 Te9 Sm1 87.38(2) 6_455 5_455 ?
Sm4 Te9 Sm1 145.98(4) 6 5_455 ?
Sm1 Te9 Sm1 82.54(3) 5 5_455 ?
Sm4 Te9 Sm6 110.36(3) 6_455 . ?
Sm4 Te9 Sm6 110.36(3) 6 . ?
Sm1 Te9 Sm6 103.59(3) 5 . ?
Sm1 Te9 Sm6 103.59(3) 5_455 . ?
Sm1 Te10 Sm1 82.59(3) 5_455 5 ?
Sm1 Te10 Sm2 86.13(2) 5_455 6_455 ?
Sm1 Te10 Sm2 142.84(3) 5 6_455 ?
Sm1 Te10 Sm2 142.84(3) 5_455 6 ?
Sm1 Te10 Sm2 86.13(2) 5 6 ?
Sm2 Te10 Sm2 81.81(3) 6_455 6 ?
Sm1 Te10 Sm7 107.63(3) 5_455 . ?
Sm1 Te10 Sm7 107.63(3) 5 . ?
Sm2 Te10 Sm7 109.53(3) 6_455 . ?
Sm2 Te10 Sm7 109.53(3) 6 . ?
Sm2 Te11 Sm2 84.78(3) 5_455 5 ?
Sm2 Te11 Sm3 149.74(4) 5_455 5 ?
Sm2 Te11 Sm3 87.50(2) 5 5 ?
Sm2 Te11 Sm3 87.50(2) 5_455 5_455 ?
Sm2 Te11 Sm3 149.74(4) 5 5_455 ?
Sm3 Te11 Sm3 84.60(3) 5 5_455 ?
Sm2 Te11 Sm6 110.03(3) 5_455 . ?
Sm2 Te11 Sm6 110.03(3) 5 . ?
Sm3 Te11 Sm6 100.11(3) 5 . ?
Sm3 Te11 Sm6 100.11(3) 5_455 . ?
Sm8 Te12 Sm1 109.06(3) . 5_455 ?
Sm8 Te12 Sm1 109.06(3) . 5 ?
Sm1 Te12 Sm1 84.27(3) 5_455 5 ?
Sm8 Te12 Sm3 97.56(3) . 5_455 ?
Sm1 Te12 Sm3 90.57(2) 5_455 5_455 ?
Sm1 Te12 Sm3 153.14(4) 5 5_455 ?
Sm8 Te12 Sm3 97.56(3) . 5 ?
Sm1 Te12 Sm3 153.14(4) 5_455 5 ?
Sm1 Te12 Sm3 90.57(2) 5 5 ?
Sm3 Te12 Sm3 82.21(3) 5_455 5 ?
Sm5 Te13 Sm5 85.02(3) 5 5_455 ?
Sm5 Te13 Sm8 108.32(3) 5 . ?
Sm5 Te13 Sm8 108.32(3) 5_455 . ?
Sm5 Te13 Sm3 154.36(4) 5 5_455 ?
Sm5 Te13 Sm3 90.28(2) 5_455 5_455 ?
Sm8 Te13 Sm3 97.10(3) . 5_455 ?
Sm5 Te13 Sm3 90.28(2) 5 5 ?
Sm5 Te13 Sm3 154.36(4) 5_455 5 ?
Sm8 Te13 Sm3 97.10(3) . 5 ?
Sm3 Te13 Sm3 83.14(3) 5_455 5 ?
Te8 Cr1 Te5 177.90(12) . . ?
Te8 Cr1 Te6 89.68(7) . 6_455 ?
Te5 Cr1 Te6 88.97(7) . 6_455 ?
Te8 Cr1 Te6 89.68(7) . 6 ?
Te5 Cr1 Te6 88.97(7) . 6 ?
Te6 Cr1 Te6 99.81(9) 6_455 6 ?
Te8 Cr1 Te4 89.93(7) . 6 ?
Te5 Cr1 Te4 91.42(7) . 6 ?
Te6 Cr1 Te4 179.61(12) 6_455 6 ?
Te6 Cr1 Te4 80.20(2) 6 6 ?
Te8 Cr1 Te4 89.93(7) . 6_455 ?
Te5 Cr1 Te4 91.42(7) . 6_455 ?
Te6 Cr1 Te4 80.20(2) 6_455 6_455 ?
Te6 Cr1 Te4 179.61(12) 6 6_455 ?
Te4 Cr1 Te4 99.79(9) 6 6_455 ?
Sm6 Cl1 Sm6 95.61(10) 5_445 5_545 ?
Sm6 Cl1 Sm3 115.97(8) 5_445 . ?
Sm6 Cl1 Sm3 115.97(8) 5_545 . ?
Sm6 Cl1 Sm1 117.34(8) 5_445 . ?
Sm6 Cl1 Sm1 117.34(8) 5_545 . ?
Sm3 Cl1 Sm1 96.17(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
Sm1 Cl1 3.122(4) . ?
Sm1 Te12 3.1512(9) 5_545 ?
Sm1 Te12 3.1512(9) 5_445 ?
Sm1 Te10 3.2033(10) 5_545 ?
Sm1 Te10 3.2033(10) 5_445 ?
Sm1 Te9 3.2049(10) 5_445 ?
Sm1 Te9 3.2049(10) 5_545 ?
Sm1 Te2 3.3122(12) . ?
Sm2 Te11 3.1359(9) 5_545 ?
Sm2 Te11 3.1359(9) 5_445 ?
Sm2 Te8 3.2091(9) 6_554 ?
Sm2 Te8 3.2091(9) 6_454 ?
Sm2 Te10 3.2284(9) 6_454 ?
Sm2 Te10 3.2284(9) 6_554 ?
Sm2 Te1 3.3327(12) 2_554 ?
Sm2 Te4 3.5109(12) . ?
Sm3 Cl1 2.956(3) . ?
Sm3 Te11 3.1413(9) 5_445 ?
Sm3 Te11 3.1413(9) 5_545 ?
Sm3 Te13 3.1861(9) 5_545 ?
Sm3 Te13 3.1861(9) 5_445 ?
Sm3 Te4 3.1895(12) . ?
Sm3 Te12 3.2155(10) 5_545 ?
Sm3 Te12 3.2155(10) 5_445 ?
Sm4 Te7 3.1608(9) 6_554 ?
Sm4 Te7 3.1608(9) 6_454 ?
Sm4 Te9 3.1890(10) 6_454 ?
Sm4 Te9 3.1890(10) 6_554 ?
Sm4 Te8 3.2193(10) 6_554 ?
Sm4 Te8 3.2193(10) 6_454 ?
Sm4 Te3 3.3602(14) . ?
Sm4 Te6 3.4143(13) . ?
Sm5 Te13 3.1287(9) 5_445 ?
Sm5 Te13 3.1287(9) 5_545 ?
Sm5 Te5 3.1934(10) 6_454 ?
Sm5 Te5 3.1934(10) 6_554 ?
Sm5 Te3 3.2159(9) 6 ?
Sm5 Te3 3.2159(9) 6_455 ?
Sm5 Te7 3.3345(13) . ?
Sm5 Te4 3.4628(13) . ?
Sm6 Cl1 2.854(2) 5 ?
Sm6 Cl1 2.854(2) 5_455 ?
Sm6 Te3 3.2155(10) 6_455 ?
Sm6 Te3 3.2155(10) 6 ?
Sm6 Te1 3.2294(10) 6_454 ?
Sm6 Te1 3.2294(10) 6_554 ?
Sm6 Te11 3.2839(12) . ?
Sm6 Te9 3.2925(14) . ?
Sm7 Te2 3.1493(9) 5_455 ?
Sm7 Te2 3.1493(9) 5 ?
Sm7 Te5 3.2031(9) 5 ?
Sm7 Te5 3.2031(9) 5_455 ?
Sm7 Te1 3.2171(9) 5_455 ?
Sm7 Te1 3.2171(9) 5 ?
Sm7 Te10 3.3172(12) . ?
Sm7 Te6 3.5574(13) 2_565 ?
Sm8 Te6 3.1057(13) 2_565 ?
Sm8 Te12 3.1186(12) . ?
Sm8 Te7 3.1244(9) 5 ?
Sm8 Te7 3.1244(9) 5_455 ?
Sm8 Te2 3.1470(9) 5_455 ?
Sm8 Te2 3.1470(9) 5 ?
Sm8 Te13 3.1705(13) . ?
Te1 Sm7 3.2171(9) 5_545 ?
Te1 Sm7 3.2171(9) 5_445 ?
Te1 Sm6 3.2294(10) 6 ?
Te1 Sm6 3.2294(10) 6_455 ?
Te1 Sm2 3.3327(12) 2 ?
Te2 Sm8 3.1470(9) 5_545 ?
Te2 Sm8 3.1470(9) 5_445 ?
Te2 Sm7 3.1493(9) 5_545 ?
Te2 Sm7 3.1493(9) 5_445 ?
Te3 Sm6 3.2155(10) 6_454 ?
Te3 Sm6 3.2155(10) 6_554 ?
Te3 Sm5 3.2159(9) 6_554 ?
Te3 Sm5 3.2159(9) 6_454 ?
Te4 Cr1 2.7639(18) 6_454 ?
Te4 Cr1 2.7639(18) 6_554 ?
Te5 Cr1 2.714(3) . ?
Te5 Sm5 3.1934(10) 6 ?
Te5 Sm5 3.1934(10) 6_455 ?
Te5 Sm7 3.2031(9) 5_445 ?
Te5 Sm7 3.2031(9) 5_545 ?
Te6 Cr1 2.7636(18) 6_554 ?
Te6 Cr1 2.7636(19) 6_454 ?
Te6 Sm8 3.1057(13) 2_564 ?
Te6 Sm7 3.5574(13) 2_564 ?
Te7 Sm8 3.1244(9) 5_445 ?
Te7 Sm8 3.1244(9) 5_545 ?
Te7 Sm4 3.1608(9) 6 ?
Te7 Sm4 3.1608(9) 6_455 ?
Te8 Cr1 2.699(3) . ?
Te8 Sm2 3.2091(9) 6 ?
Te8 Sm2 3.2091(9) 6_455 ?
Te8 Sm4 3.2193(10) 6_455 ?
Te8 Sm4 3.2193(11) 6 ?
Te9 Sm4 3.1890(10) 6_455 ?
Te9 Sm4 3.1890(10) 6 ?
Te9 Sm1 3.2049(10) 5 ?
Te9 Sm1 3.2049(10) 5_455 ?
Te10 Sm1 3.2033(10) 5_455 ?
Te10 Sm1 3.2033(10) 5 ?
Te10 Sm2 3.2284(9) 6_455 ?
Te10 Sm2 3.2284(9) 6 ?
Te11 Sm2 3.1359(9) 5_455 ?
Te11 Sm2 3.1359(9) 5 ?
Te11 Sm3 3.1412(9) 5 ?
Te11 Sm3 3.1412(9) 5_455 ?
Te12 Sm1 3.1512(9) 5_455 ?
Te12 Sm1 3.1512(9) 5 ?
Te12 Sm3 3.2155(10) 5_455 ?
Te12 Sm3 3.2155(10) 5 ?
Te13 Sm5 3.1287(9) 5 ?
Te13 Sm5 3.1287(9) 5_455 ?
Te13 Sm3 3.1861(9) 5_455 ?
Te13 Sm3 3.1861(9) 5 ?
Cr1 Te6 2.7636(18) 6_455 ?
Cr1 Te6 2.7636(18) 6 ?
Cr1 Te4 2.7639(18) 6 ?
Cr1 Te4 2.7639(18) 6_455 ?
Cl1 Sm6 2.854(2) 5_445 ?
Cl1 Sm6 2.854(2) 5_545 ?
