#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/08/4000801.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_4000801
loop_
_publ_author_name
'Meng, Chang-Yu'
'Chen, Hong'
'Wang, Peng'
'Chen, Ling'
_publ_section_title
;
 Syntheses, Structures, and Magnetic and Thermoelectric Properties of
 Double-Tunnel Tellurides: AxRE2Cu6--xTe6(A = K--Cs; RE = La--Nd)
;
_journal_issue                   22
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4910
_journal_paper_doi               10.1021/cm201574a
_journal_volume                  23
_journal_year                    2011
_chemical_formula_moiety         'Cs0.25 Cu1.75 La0.67 Te2'
_chemical_formula_sum            'Cs0.25 Cu1.75 La0.67 Te2'
_chemical_formula_weight         492.23
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                120.00
_cell_formula_units_Z            3
_cell_length_a                   10.0841(6)
_cell_length_b                   10.0841(6)
_cell_length_c                   4.2366(6)
_cell_measurement_reflns_used    431
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4372
_cell_measurement_theta_min      2.3320
_cell_volume                     373.10(6)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  SCXMini
_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  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0151
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            2912
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         4.04
_exptl_absorpt_coefficient_mu    26.184
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5817
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    6.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.809
_refine_diff_density_min         -1.790
_refine_diff_density_rms         0.195
_refine_ls_extinction_coef       0.0020(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.216
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         322
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.412
_refine_ls_R_factor_all          0.0210
_refine_ls_R_factor_gt           0.0202
_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)+(0.0082P)²+2.7650P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0386
_refine_ls_wR_factor_ref         0.0389
_reflns_number_gt                316
_reflns_number_total             322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm201574a_si_001.cif
_cod_data_source_block           Cs0.76La2Cu5.24Te6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P6(3)/m
_cod_database_code               4000801
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-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
Cs1 Cs 0.0000 0.0000 0.2500 0.058(4) Uani 0.248(10) 6 d SPU
Cs2 Cs 0.0000 0.0000 0.0000 0.052(5) Uani 0.129(10) 6 d SPU
La La 0.6667 0.3333 0.2500 0.0169(2) Uani 1 6 d S
Cu Cu 0.56834(14) 0.60399(15) 0.2500 0.0216(3) Uani 0.8744(19) 2 d SP
Te Te 0.27676(6) 0.39343(6) 0.2500 0.0173(2) 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
Cu Cu 0.3201 1.2651 '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'
La La -0.2871 2.4523 '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
Cs2 Cs1 Cs2 180.0 4 .
Cs2 Cs1 Cs1 0.0 4 7_556
Cs2 Cs1 Cs1 180.0 . 7_556
Cs2 Cs1 Cs1 180.0 4 7
Cs2 Cs1 Cs1 0.0 . 7
Cs1 Cs1 Cs1 180.0 7_556 7
Cs2 Cs1 Cs2 180.0 4 4_554
Cs2 Cs1 Cs2 0.0 . 4_554
Cs1 Cs1 Cs2 180.0 7_556 4_554
Cs1 Cs1 Cs2 0.0 7 4_554
Cs2 Cs1 Cs2 0.0 4 1_556
Cs2 Cs1 Cs2 180.0 . 1_556
Cs1 Cs1 Cs2 0.0 7_556 1_556
Cs1 Cs1 Cs2 180.0 7 1_556
Cs2 Cs1 Cs2 180.0 4_554 1_556
Cs2 Cs1 Te 90.0 4 .
Cs2 Cs1 Te 90.0 . .
Cs1 Cs1 Te 90.0 7_556 .
Cs1 Cs1 Te 90.0 7 .
Cs2 Cs1 Te 90.0 4_554 .
Cs2 Cs1 Te 90.0 1_556 .
Cs2 Cs1 Te 90.0 4 2
Cs2 Cs1 Te 90.0 . 2
Cs1 Cs1 Te 90.0 7_556 2
Cs1 Cs1 Te 90.0 7 2
Cs2 Cs1 Te 90.0 4_554 2
Cs2 Cs1 Te 90.0 1_556 2
Te Cs1 Te 120.0 . 2
Cs2 Cs1 Te 90.0 4 3
Cs2 Cs1 Te 90.0 . 3
Cs1 Cs1 Te 90.0 7_556 3
Cs1 Cs1 Te 90.0 7 3
Cs2 Cs1 Te 90.0 4_554 3
Cs2 Cs1 Te 90.0 1_556 3
Te Cs1 Te 120.0 . 3
Te Cs1 Te 120.0 2 3
Cs2 Cs1 Te 120.971(5) 4 7
Cs2 Cs1 Te 59.029(5) . 7
Cs1 Cs1 Te 120.971(5) 7_556 7
Cs1 Cs1 Te 59.029(5) 7 7
Cs2 Cs1 Te 59.029(6) 4_554 7
Cs2 Cs1 Te 120.971(5) 1_556 7
Te Cs1 Te 149.029(6) . 7
Te Cs1 Te 64.614(2) 2 7
Te Cs1 Te 64.614(2) 3 7
Cs2 Cs1 Te 59.029(5) 4 8_556
Cs2 Cs1 Te 120.971(5) . 8_556
Cs1 Cs1 Te 59.029(5) 7_556 8_556
Cs1 Cs1 Te 120.971(5) 7 8_556
Cs2 Cs1 Te 120.971(6) 4_554 8_556
Cs2 Cs1 Te 59.029(5) 1_556 8_556
Te Cs1 Te 64.614(2) . 8_556
Te Cs1 Te 149.029(5) 2 8_556
Te Cs1 Te 64.614(2) 3 8_556
Te Cs1 Te 129.228(3) 7 8_556
Cs2 Cs1 Te 59.029(5) 4 7_556
Cs2 Cs1 Te 120.971(5) . 7_556
Cs1 Cs1 Te 59.029(5) 7_556 7_556
Cs1 Cs1 Te 120.971(5) 7 7_556
Cs2 Cs1 Te 120.971(5) 4_554 7_556
Cs2 Cs1 Te 59.029(5) 1_556 7_556
Te Cs1 Te 149.029(6) . 7_556
Te Cs1 Te 64.614(2) 2 7_556
Te Cs1 Te 64.614(2) 3 7_556
Te Cs1 Te 61.943(11) 7 7_556
Te Cs1 Te 95.898(7) 8_556 7_556
Cs1 Cs2 Cs1 180.0 7 .
Cs1 Cs2 Cs2 180.0 7 4
Cs1 Cs2 Cs2 0.0 . 4
Cs1 Cs2 Cs2 0.0 7 4_554
Cs1 Cs2 Cs2 180.0 . 4_554
Cs2 Cs2 Cs2 180.0 4 4_554
Cs1 Cs2 Cs1 0.0 7 1_554
Cs1 Cs2 Cs1 180.0 . 1_554
Cs2 Cs2 Cs1 180.0 4 1_554
Cs2 Cs2 Cs1 0.0 4_554 1_554
Cs1 Cs2 Cs1 180.0 7 7_556
Cs1 Cs2 Cs1 0.0 . 7_556
Cs2 Cs2 Cs1 0.0 4 7_556
Cs2 Cs2 Cs1 180.0 4_554 7_556
Cs1 Cs2 Cs1 180.0 1_554 7_556
Cs1 Cs2 Te 73.296(3) 7 7
Cs1 Cs2 Te 106.704(3) . 7
Cs2 Cs2 Te 106.704(3) 4 7
Cs2 Cs2 Te 73.296(3) 4_554 7
Cs1 Cs2 Te 73.296(3) 1_554 7
Cs1 Cs2 Te 106.704(3) 7_556 7
Cs1 Cs2 Te 106.704(3) 7 .
Cs1 Cs2 Te 73.296(3) . .
Cs2 Cs2 Te 73.296(3) 4 .
Cs2 Cs2 Te 106.704(3) 4_554 .
Cs1 Cs2 Te 106.704(3) 1_554 .
Cs1 Cs2 Te 73.296(3) 7_556 .
Te Cs2 Te 180.0 7 .
Cs1 Cs2 Te 106.704(3) 7 2
Cs1 Cs2 Te 73.296(3) . 2
Cs2 Cs2 Te 73.296(3) 4 2
Cs2 Cs2 Te 106.704(3) 4_554 2
Cs1 Cs2 Te 106.704(3) 1_554 2
Cs1 Cs2 Te 73.296(3) 7_556 2
Te Cs2 Te 67.909(3) 7 2
Te Cs2 Te 112.091(3) . 2
Cs1 Cs2 Te 73.296(3) 7 8
Cs1 Cs2 Te 106.704(3) . 8
Cs2 Cs2 Te 106.704(3) 4 8
Cs2 Cs2 Te 73.296(3) 4_554 8
Cs1 Cs2 Te 73.296(3) 1_554 8
Cs1 Cs2 Te 106.704(3) 7_556 8
Te Cs2 Te 112.091(3) 7 8
Te Cs2 Te 67.909(3) . 8
Te Cs2 Te 180.0 2 8
Cs1 Cs2 Te 73.296(3) 7 9
Cs1 Cs2 Te 106.704(3) . 9
Cs2 Cs2 Te 106.704(3) 4 9
Cs2 Cs2 Te 73.296(3) 4_554 9
Cs1 Cs2 Te 73.296(3) 1_554 9
Cs1 Cs2 Te 106.704(3) 7_556 9
Te Cs2 Te 112.091(3) 7 9
Te Cs2 Te 67.909(3) . 9
Te Cs2 Te 67.909(3) 2 9
Te Cs2 Te 112.091(3) 8 9
Cs1 Cs2 Te 106.704(3) 7 3
Cs1 Cs2 Te 73.296(3) . 3
Cs2 Cs2 Te 73.296(3) 4 3
Cs2 Cs2 Te 106.704(3) 4_554 3
Cs1 Cs2 Te 106.704(3) 1_554 3
Cs1 Cs2 Te 73.296(3) 7_556 3
Te Cs2 Te 67.909(3) 7 3
Te Cs2 Te 112.091(3) . 3
Te Cs2 Te 112.091(3) 2 3
Te Cs2 Te 67.909(3) 8 3
Te Cs2 Te 180.000(13) 9 3
Te La Te 80.123(15) 9_656 9_655
Te La Te 135.001(5) 9_656 8
Te La Te 83.030(11) 9_655 8
Te La Te 83.030(11) 9_656 8_556
Te La Te 135.001(5) 9_655 8_556
Te La Te 80.123(15) 8 8_556
Te La Te 83.030(11) 9_656 7_666
Te La Te 135.001(5) 9_655 7_666
Te La Te 135.001(5) 8 7_666
Te La Te 83.030(11) 8_556 7_666
Te La Te 135.001(5) 9_656 7_665
Te La Te 83.030(11) 9_655 7_665
Te La Te 83.030(11) 8 7_665
Te La Te 135.001(5) 8_556 7_665
Te La Te 80.123(15) 7_666 7_665
Te La Cu 46.638(13) 9_656 3_665
Te La Cu 46.638(13) 9_655 3_665
Te La Cu 129.505(14) 8 3_665
Te La Cu 129.505(14) 8_556 3_665
Te La Cu 92.893(19) 7_666 3_665
Te La Cu 92.893(19) 7_665 3_665
Te La Cu 92.893(19) 9_656 2_655
Te La Cu 92.893(19) 9_655 2_655
Te La Cu 46.638(13) 8 2_655
Te La Cu 46.638(13) 8_556 2_655
Te La Cu 129.505(14) 7_666 2_655
Te La Cu 129.505(14) 7_665 2_655
Cu La Cu 120.0 3_665 2_655
Te La Cu 129.505(14) 9_656 .
Te La Cu 129.505(14) 9_655 .
Te La Cu 92.893(19) 8 .
Te La Cu 92.893(19) 8_556 .
Te La Cu 46.638(13) 7_666 .
Te La Cu 46.638(13) 7_665 .
Cu La Cu 120.0 3_665 .
Cu La Cu 120.0 2_655 .
Te La Cu 95.317(19) 9_656 8
Te La Cu 46.02(2) 9_655 8
Te La Cu 45.71(2) 8 8
Te La Cu 95.098(19) 8_556 8
Te La Cu 177.630(13) 7_666 8
Te La Cu 102.242(16) 7_665 8
Cu La Cu 87.17(4) 3_665 8
Cu La Cu 48.76(3) 2_655 8
Cu La Cu 135.12(3) . 8
Te La Cu 46.02(2) 9_656 8_556
Te La Cu 95.317(19) 9_655 8_556
Te La Cu 95.098(19) 8 8_556
Te La Cu 45.71(2) 8_556 8_556
Te La Cu 102.242(16) 7_666 8_556
Te La Cu 177.630(13) 7_665 8_556
Cu La Cu 87.17(4) 3_665 8_556
Cu La Cu 48.76(3) 2_655 8_556
Cu La Cu 135.12(3) . 8_556
Cu La Cu 75.39(3) 8 8_556
Te La Cu 45.71(2) 9_656 9_656
Te La Cu 95.098(19) 9_655 9_656
Te La Cu 177.630(13) 8 9_656
Te La Cu 102.242(16) 8_556 9_656
Te La Cu 46.02(2) 7_666 9_656
Te La Cu 95.317(19) 7_665 9_656
Cu La Cu 48.76(3) 3_665 9_656
Cu La Cu 135.12(3) 2_655 9_656
Cu La Cu 87.17(4) . 9_656
Cu La Cu 133.390(8) 8 9_656
Cu La Cu 86.510(18) 8_556 9_656
Te Cu Te 107.64(5) 7_666 7_665
Te Cu Te 115.33(3) 7_666 .
Te Cu Te 115.33(3) 7_665 .
Te Cu Te 102.73(4) 7_666 2_665
Te Cu Te 102.73(4) 7_665 2_665
Te Cu Te 111.64(5) . 2_665
Te Cu Cu 133.10(7) 7_666 7_665
Te Cu Cu 57.74(3) 7_665 7_665
Te Cu Cu 57.59(4) . 7_665
Te Cu Cu 123.42(5) 2_665 7_665
Te Cu Cu 57.74(3) 7_666 7_666
Te Cu Cu 133.10(7) 7_665 7_666
Te Cu Cu 57.59(4) . 7_666
Te Cu Cu 123.42(5) 2_665 7_666
Cu Cu Cu 97.86(8) 7_665 7_666
Te Cu La 65.76(3) 7_666 .
Te Cu La 65.76(3) 7_665 .
Te Cu La 90.52(4) . .
Te Cu La 157.84(5) 2_665 .
Cu Cu La 67.98(5) 7_665 .
Cu Cu La 67.98(5) 7_666 .
Te Cu La 161.78(4) 7_666 7_665
Te Cu La 87.862(16) 7_665 7_665
Te Cu La 63.67(2) . 7_665
Te Cu La 63.54(2) 2_665 7_665
Cu Cu La 63.27(3) 7_665 7_665
Cu Cu La 118.17(6) 7_666 7_665
La Cu La 131.24(3) . 7_665
Te Cu La 87.862(16) 7_666 7_666
Te Cu La 161.78(4) 7_665 7_666
Te Cu La 63.67(2) . 7_666
Te Cu La 63.54(2) 2_665 7_666
Cu Cu La 118.17(6) 7_665 7_666
Cu Cu La 63.27(3) 7_666 7_666
La Cu La 131.24(3) . 7_666
La Cu La 75.39(3) 7_665 7_666
Te Cu Cs1 70.16(3) 7_666 1_665
Te Cu Cs1 70.16(3) 7_665 1_665
Te Cu Cs1 168.65(4) . 1_665
Te Cu Cs1 57.02(3) 2_665 1_665
Cu Cu Cs1 126.89(4) 7_665 1_665
Cu Cu Cs1 126.89(4) 7_666 1_665
La Cu Cs1 100.82(3) . 1_665
La Cu Cs1 107.82(3) 7_665 1_665
La Cu Cs1 107.82(3) 7_666 1_665
Te Cu Cs2 58.19(2) 7_666 4_665
Te Cu Cs2 82.47(3) 7_665 4_665
Te Cu Cs2 161.89(3) . 4_665
Te Cu Cs2 58.15(3) 2_665 4_665
Cu Cu Cs2 140.08(5) 7_665 4_665
Cu Cu Cs2 113.39(4) 7_666 4_665
La Cu Cs2 100.49(3) . 4_665
La Cu Cs2 116.53(3) 7_665 4_665
La Cu Cs2 98.43(2) 7_666 4_665
Cs1 Cu Cs2 14.203(5) 1_665 4_665
Te Cu Cs2 82.47(3) 7_666 1_665
Te Cu Cs2 58.19(2) 7_665 1_665
Te Cu Cs2 161.89(3) . 1_665
Te Cu Cs2 58.15(3) 2_665 1_665
Cu Cu Cs2 113.39(4) 7_665 1_665
Cu Cu Cs2 140.08(5) 7_666 1_665
La Cu Cs2 100.49(3) . 1_665
La Cu Cs2 98.43(2) 7_665 1_665
La Cu Cs2 116.53(3) 7_666 1_665
Cs1 Cu Cs2 14.203(5) 1_665 1_665
Cs2 Cu Cs2 28.407(9) 4_665 1_665
Cu Te Cu 107.64(5) 7_666 7_665
Cu Te Cu 64.67(3) 7_666 .
Cu Te Cu 64.67(3) 7_665 .
Cu Te Cu 125.76(2) 7_666 3_565
Cu Te Cu 125.76(2) 7_665 3_565
Cu Te Cu 128.36(5) . 3_565
Cu Te La 67.61(3) 7_666 7_666
Cu Te La 131.15(3) 7_665 7_666
Cu Te La 70.62(2) . 7_666
Cu Te La 70.44(2) 3_565 7_666
Cu Te La 131.15(3) 7_666 7_665
Cu Te La 67.61(3) 7_665 7_665
Cu Te La 70.62(2) . 7_665
Cu Te La 70.44(2) 3_565 7_665
La Te La 80.123(15) 7_666 7_665
Cu Te Cs1 98.24(3) 7_666 .
Cu Te Cs1 98.24(3) 7_665 .
Cu Te Cs1 147.61(3) . .
Cu Te Cs1 84.03(3) 3_565 .
La Te Cs1 130.518(11) 7_666 .
La Te Cs1 130.518(11) 7_665 .
Cu Te Cs2 111.67(3) 7_666 .
Cu Te Cs2 84.56(3) 7_665 .
Cu Te Cs2 143.98(3) . .
Cu Te Cs2 84.28(3) 3_565 .
La Te Cs2 143.830(13) 7_666 .
La Te Cs2 115.931(9) 7_665 .
Cs1 Te Cs2 16.704(3) . .
Cu Te Cs2 84.56(3) 7_666 4
Cu Te Cs2 111.67(3) 7_665 4
Cu Te Cs2 143.98(3) . 4
Cu Te Cs2 84.28(3) 3_565 4
La Te Cs2 115.931(9) 7_666 4
La Te Cs2 143.830(13) 7_665 4
Cs1 Te Cs2 16.704(3) . 4
Cs2 Te Cs2 33.408(7) . 4
Cu Te Cs1 122.57(3) 7_666 7
Cu Te Cs1 72.99(3) 7_665 7
Cu Te Cs1 136.39(2) . 7
Cu Te Cs1 84.88(3) 3_565 7
La Te Cs1 152.656(15) 7_666 7
La Te Cs1 103.053(9) 7_665 7
Cs1 Te Cs1 30.971(5) . 7
Cs2 Te Cs1 14.267(2) . 7
Cs2 Te Cs1 47.676(9) 4 7
Cu Te Cs1 72.99(3) 7_666 7_556
Cu Te Cs1 122.57(3) 7_665 7_556
Cu Te Cs1 136.39(2) . 7_556
Cu Te Cs1 84.88(3) 3_565 7_556
La Te Cs1 103.053(9) 7_666 7_556
La Te Cs1 152.656(15) 7_665 7_556
Cs1 Te Cs1 30.971(5) . 7_556
Cs2 Te Cs1 47.676(9) . 7_556
Cs2 Te Cs1 14.267(2) 4 7_556
Cs1 Te Cs1 61.943(11) 7 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La Te 3.2913(5) 9_656
La Te 3.2913(5) 9_655
La Te 3.2913(5) 8
La Te 3.2913(5) 8_556
La Te 3.2913(5) 7_666
La Te 3.2913(5) 7_665
La Cu 3.3375(12) 3_665
La Cu 3.3375(12) 2_655
La Cu 3.3375(12) .
La Cu 3.4642(10) 8
La Cu 3.4642(10) 8_556
La Cu 3.4642(10) 9_656
Cu Te 2.6243(8) 7_666
Cu Te 2.6243(8) 7_665
Cu Te 2.6288(14) .
Cu Te 2.6453(14) 2_665
Cu Cu 2.8098(17) 7_665
Cu Cu 2.8098(17) 7_666
Cu La 3.4642(10) 7_665
Cu La 3.4642(10) 7_666
Te Cu 2.6243(8) 7_666
Te Cu 2.6243(8) 7_665
Te Cu 2.6453(14) 3_565
Te La 3.2913(5) 7_666
Te La 3.2913(5) 7_665
