#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/08/4000802.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_4000802
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         'Ce0.67 Cs0.26 Cu1.74 Te2'
_chemical_formula_sum            'Ce0.67 Cs0.26 Cu1.74 Te2'
_chemical_formula_weight         493.50
_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                   10.0777(7)
_cell_length_b                   10.0777(7)
_cell_length_c                   4.1918(5)
_cell_measurement_reflns_used    479
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4680
_cell_measurement_theta_min      2.3335
_cell_volume                     368.68(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0110
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            2882
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    26.897
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5802
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    6.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             622
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.432
_refine_diff_density_min         -1.830
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       0.0048(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   1.248
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         321
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.428
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0203
_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)+(0.0134P)²+3.1912P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0437
_refine_ls_wR_factor_ref         0.0439
_reflns_number_gt                317
_reflns_number_total             321
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm201574a_si_001.cif
_cod_data_source_block           Cs0.77Ce2Cu5.23Te6
_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               4000802
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 0.055(4) Uani 0.246(10) 6 d SPU
Cs2 Cs 0.0000 0.0000 0.0000 0.052(5) Uani 0.138(11) 6 d SPU
Ce Ce 0.6667 0.3333 0.2500 0.0143(2) Uani 1 6 d S
Cu Cu 0.56744(15) 0.60235(15) 0.2500 0.0208(3) Uani 0.872(2) 2 d SP
Te Te 0.11927(6) 0.72439(6) 0.2500 0.0158(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'
Ce Ce -0.2486 2.6331 '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 2_665
Cs2 Cs1 Te 90.0 . 2_665
Cs1 Cs1 Te 90.0 7_556 2_665
Cs1 Cs1 Te 90.0 7 2_665
Cs2 Cs1 Te 90.0 4_554 2_665
Cs2 Cs1 Te 90.0 1_556 2_665
Cs2 Cs1 Te 90.0 4 3_455
Cs2 Cs1 Te 90.0 . 3_455
Cs1 Cs1 Te 90.0 7_556 3_455
Cs1 Cs1 Te 90.0 7 3_455
Cs2 Cs1 Te 90.0 4_554 3_455
Cs2 Cs1 Te 90.0 1_556 3_455
Te Cs1 Te 120.0 2_665 3_455
Cs2 Cs1 Te 90.0 4 1_545
Cs2 Cs1 Te 90.0 . 1_545
Cs1 Cs1 Te 90.0 7_556 1_545
Cs1 Cs1 Te 90.0 7 1_545
Cs2 Cs1 Te 90.0 4_554 1_545
Cs2 Cs1 Te 90.0 1_556 1_545
Te Cs1 Te 120.0 2_665 1_545
Te Cs1 Te 120.0 3_455 1_545
Cs2 Cs1 Te 120.662(5) 4 8_445
Cs2 Cs1 Te 59.338(5) . 8_445
Cs1 Cs1 Te 120.662(5) 7_556 8_445
Cs1 Cs1 Te 59.338(5) 7 8_445
Cs2 Cs1 Te 59.338(5) 4_554 8_445
Cs2 Cs1 Te 120.662(5) 1_556 8_445
Te Cs1 Te 149.338(5) 2_665 8_445
Te Cs1 Te 64.526(1) 3_455 8_445
Te Cs1 Te 64.526(1) 1_545 8_445
Cs2 Cs1 Te 59.338(5) 4 9_656
Cs2 Cs1 Te 120.662(5) . 9_656
Cs1 Cs1 Te 59.338(5) 7_556 9_656
Cs1 Cs1 Te 120.662(5) 7 9_656
Cs2 Cs1 Te 120.662(5) 4_554 9_656
Cs2 Cs1 Te 59.338(5) 1_556 9_656
Te Cs1 Te 64.526(1) 2_665 9_656
Te Cs1 Te 149.338(5) 3_455 9_656
Te Cs1 Te 64.526(1) 1_545 9_656
Te Cs1 Te 129.053(3) 8_445 9_656
Cs2 Cs1 Te 59.338(5) 4 8_446
Cs2 Cs1 Te 120.662(5) . 8_446
Cs1 Cs1 Te 59.338(5) 7_556 8_446
Cs1 Cs1 Te 120.662(5) 7 8_446
Cs2 Cs1 Te 120.662(5) 4_554 8_446
Cs2 Cs1 Te 59.338(5) 1_556 8_446
Te Cs1 Te 149.338(5) 2_665 8_446
Te Cs1 Te 64.526(1) 3_455 8_446
Te Cs1 Te 64.526(1) 1_545 8_446
Te Cs1 Te 61.324(11) 8_445 8_446
Te Cs1 Te 96.309(7) 9_656 8_446
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 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 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_556 1_554
Cs1 Cs2 Te 73.489(3) 7 8_445
Cs1 Cs2 Te 106.511(3) . 8_445
Cs2 Cs2 Te 106.511(3) 4 8_445
Cs2 Cs2 Te 73.489(3) 4_554 8_445
Cs1 Cs2 Te 106.511(3) 7_556 8_445
Cs1 Cs2 Te 73.489(3) 1_554 8_445
Cs1 Cs2 Te 106.511(3) 7 2_665
Cs1 Cs2 Te 73.489(3) . 2_665
Cs2 Cs2 Te 73.489(3) 4 2_665
Cs2 Cs2 Te 106.511(3) 4_554 2_665
Cs1 Cs2 Te 73.489(3) 7_556 2_665
Cs1 Cs2 Te 106.511(3) 1_554 2_665
Te Cs2 Te 180.000(14) 8_445 2_665
Cs1 Cs2 Te 106.511(3) 7 3_455
Cs1 Cs2 Te 73.489(3) . 3_455
Cs2 Cs2 Te 73.489(3) 4 3_455
Cs2 Cs2 Te 106.511(3) 4_554 3_455
Cs1 Cs2 Te 73.489(3) 7_556 3_455
Cs1 Cs2 Te 106.511(3) 1_554 3_455
Te Cs2 Te 67.738(3) 8_445 3_455
Te Cs2 Te 112.262(3) 2_665 3_455
Cs1 Cs2 Te 73.489(3) 7 9_655
Cs1 Cs2 Te 106.511(3) . 9_655
Cs2 Cs2 Te 106.511(3) 4 9_655
Cs2 Cs2 Te 73.489(3) 4_554 9_655
Cs1 Cs2 Te 106.511(3) 7_556 9_655
Cs1 Cs2 Te 73.489(3) 1_554 9_655
Te Cs2 Te 112.262(3) 8_445 9_655
Te Cs2 Te 67.738(3) 2_665 9_655
Te Cs2 Te 180.0 3_455 9_655
Cs1 Cs2 Te 106.511(3) 7 1_545
Cs1 Cs2 Te 73.489(3) . 1_545
Cs2 Cs2 Te 73.489(3) 4 1_545
Cs2 Cs2 Te 106.511(3) 4_554 1_545
Cs1 Cs2 Te 73.489(3) 7_556 1_545
Cs1 Cs2 Te 106.511(3) 1_554 1_545
Te Cs2 Te 67.738(3) 8_445 1_545
Te Cs2 Te 112.262(3) 2_665 1_545
Te Cs2 Te 112.262(3) 3_455 1_545
Te Cs2 Te 67.738(3) 9_655 1_545
Cs1 Cs2 Te 73.489(3) 7 7_565
Cs1 Cs2 Te 106.511(3) . 7_565
Cs2 Cs2 Te 106.511(3) 4 7_565
Cs2 Cs2 Te 73.489(3) 4_554 7_565
Cs1 Cs2 Te 106.511(3) 7_556 7_565
Cs1 Cs2 Te 73.489(3) 1_554 7_565
Te Cs2 Te 112.262(3) 8_445 7_565
Te Cs2 Te 67.738(3) 2_665 7_565
Te Cs2 Te 67.738(3) 3_455 7_565
Te Cs2 Te 112.262(3) 9_655 7_565
Te Cs2 Te 180.000(14) 1_545 7_565
Te Ce Te 79.964(15) 7_666 7_665
Te Ce Te 134.946(5) 7_666 9_655
Te Ce Te 83.148(11) 7_665 9_655
Te Ce Te 83.148(11) 7_666 9_656
Te Ce Te 134.945(5) 7_665 9_656
Te Ce Te 79.964(15) 9_655 9_656
Te Ce Te 83.148(11) 7_666 8_556
Te Ce Te 134.946(5) 7_665 8_556
Te Ce Te 134.946(5) 9_655 8_556
Te Ce Te 83.148(11) 9_656 8_556
Te Ce Te 134.946(5) 7_666 8
Te Ce Te 83.148(11) 7_665 8
Te Ce Te 83.148(11) 9_655 8
Te Ce Te 134.946(5) 9_656 8
Te Ce Te 79.964(15) 8_556 8
Te Ce Cu 46.811(14) 7_666 3_665
Te Ce Cu 46.811(14) 7_665 3_665
Te Ce Cu 129.836(15) 9_655 3_665
Te Ce Cu 129.836(15) 9_656 3_665
Te Ce Cu 92.51(2) 8_556 3_665
Te Ce Cu 92.51(2) 8 3_665
Te Ce Cu 92.51(2) 7_666 2_655
Te Ce Cu 92.51(2) 7_665 2_655
Te Ce Cu 46.811(14) 9_655 2_655
Te Ce Cu 46.811(14) 9_656 2_655
Te Ce Cu 129.836(15) 8_556 2_655
Te Ce Cu 129.836(15) 8 2_655
Cu Ce Cu 120.0 3_665 2_655
Te Ce Cu 129.836(15) 7_666 .
Te Ce Cu 129.836(15) 7_665 .
Te Ce Cu 92.51(2) 9_655 .
Te Ce Cu 92.51(2) 9_656 .
Te Ce Cu 46.811(14) 8_556 .
Te Ce Cu 46.811(14) 8 .
Cu Ce Cu 120.0 3_665 .
Cu Ce Cu 120.0 2_655 .
Te Ce Cu 95.03(2) 7_666 8
Te Ce Cu 46.14(2) 7_665 8
Te Ce Cu 45.87(2) 9_655 8
Te Ce Cu 94.83(2) 9_656 8
Te Ce Cu 177.413(14) 8_556 8
Te Ce Cu 102.619(16) 8 8
Cu Ce Cu 87.55(4) 3_665 8
Cu Ce Cu 48.27(3) 2_655 8
Cu Ce Cu 135.11(3) . 8
Te Ce Cu 46.14(2) 7_666 8_556
Te Ce Cu 95.03(2) 7_665 8_556
Te Ce Cu 94.83(2) 9_655 8_556
Te Ce Cu 45.87(2) 9_656 8_556
Te Ce Cu 102.619(16) 8_556 8_556
Te Ce Cu 177.413(14) 8 8_556
Cu Ce Cu 87.55(4) 3_665 8_556
Cu Ce Cu 48.27(3) 2_655 8_556
Cu Ce Cu 135.11(3) . 8_556
Cu Ce Cu 74.80(3) 8 8_556
Te Ce Cu 45.87(2) 7_666 9_656
Te Ce Cu 94.83(2) 7_665 9_656
Te Ce Cu 177.413(14) 9_655 9_656
Te Ce Cu 102.619(16) 9_656 9_656
Te Ce Cu 46.14(2) 8_556 9_656
Te Ce Cu 95.03(2) 8 9_656
Cu Ce Cu 48.27(3) 3_665 9_656
Cu Ce Cu 135.11(3) 2_655 9_656
Cu Ce Cu 87.55(4) . 9_656
Cu Ce Cu 133.192(8) 8 9_656
Cu Ce Cu 86.943(19) 8_556 9_656
Te Cu Te 106.40(5) 8_556 8
Te Cu Te 116.07(4) 8_556 2_665
Te Cu Te 116.07(4) 8 2_665
Te Cu Te 102.94(4) 8_556 3_565
Te Cu Te 102.94(4) 8 3_565
Te Cu Te 110.85(5) 2_665 3_565
Te Cu Cu 132.99(7) 8_556 7_665
Te Cu Cu 58.10(3) 8 7_665
Te Cu Cu 57.97(5) 2_665 7_665
Te Cu Cu 123.22(5) 3_565 7_665
Te Cu Cu 58.10(3) 8_556 7_666
Te Cu Cu 132.99(7) 8 7_666
Te Cu Cu 57.97(5) 2_665 7_666
Te Cu Cu 123.22(5) 3_565 7_666
Cu Cu Cu 98.18(8) 7_665 7_666
Te Cu Ce 65.31(3) 8_556 .
Te Cu Ce 65.31(3) 8 .
Te Cu Ce 91.41(4) 2_665 .
Te Cu Ce 157.74(5) 3_565 .
Cu Cu Ce 68.22(5) 7_665 .
Cu Cu Ce 68.22(5) 7_666 .
Te Cu Ce 161.91(4) 8_556 7_665
Te Cu Ce 88.734(15) 8 7_665
Te Cu Ce 63.26(2) 2_665 7_665
Te Cu Ce 63.15(2) 3_565 7_665
Cu Cu Ce 63.51(4) 7_665 7_665
Cu Cu Ce 118.16(6) 7_666 7_665
Ce Cu Ce 131.73(3) . 7_665
Te Cu Ce 88.734(15) 8_556 7_666
Te Cu Ce 161.91(4) 8 7_666
Te Cu Ce 63.26(2) 2_665 7_666
Te Cu Ce 63.15(2) 3_565 7_666
Cu Cu Ce 118.16(6) 7_665 7_666
Cu Cu Ce 63.51(4) 7_666 7_666
Ce Cu Ce 131.73(3) . 7_666
Ce Cu Ce 74.80(3) 7_665 7_666
Te Cu Cs1 69.88(3) 8_556 1_665
Te Cu Cs1 69.88(3) 8 1_665
Te Cu Cs1 167.85(5) 2_665 1_665
Te Cu Cs1 57.00(3) 3_565 1_665
Cu Cu Cs1 126.82(5) 7_665 1_665
Cu Cu Cs1 126.82(5) 7_666 1_665
Ce Cu Cs1 100.74(3) . 1_665
Ce Cu Cs1 107.58(3) 7_665 1_665
Ce Cu Cs1 107.58(3) 7_666 1_665
Te Cu Cs2 58.14(3) 8_556 4_665
Te Cu Cs2 81.97(3) 8 4_665
Te Cu Cs2 161.52(3) 2_665 4_665
Te Cu Cs2 58.10(3) 3_565 4_665
Cu Cu Cs2 139.88(5) 7_665 4_665
Cu Cu Cs2 113.47(4) 7_666 4_665
Ce Cu Cs2 100.42(3) . 4_665
Ce Cu Cs2 116.12(3) 7_665 4_665
Ce Cu Cs2 98.39(2) 7_666 4_665
Cs1 Cu Cs2 14.028(5) 1_665 4_665
Te Cu Cs2 81.97(3) 8_556 1_665
Te Cu Cs2 58.14(3) 8 1_665
Te Cu Cs2 161.52(3) 2_665 1_665
Te Cu Cs2 58.10(3) 3_565 1_665
Cu Cu Cs2 113.47(4) 7_665 1_665
Cu Cu Cs2 139.88(5) 7_666 1_665
Ce Cu Cs2 100.42(3) . 1_665
Ce Cu Cs2 98.39(2) 7_665 1_665
Ce Cu Cs2 116.12(3) 7_666 1_665
Cs1 Cu Cs2 14.028(5) 1_665 1_665
Cs2 Cu Cs2 28.056(9) 4_665 1_665
Cu Te Cu 106.40(5) 9 9_556
Cu Te Cu 63.93(4) 9 3_565
Cu Te Cu 63.93(4) 9_556 3_565
Cu Te Cu 126.38(2) 9 2_665
Cu Te Cu 126.38(2) 9_556 2_665
Cu Te Cu 129.15(5) 3_565 2_665
Cu Te Ce 130.73(4) 9 7_666
Cu Te Ce 67.88(3) 9_556 7_666
Cu Te Ce 70.87(2) 3_565 7_666
Cu Te Ce 70.71(2) 2_665 7_666
Cu Te Ce 67.88(3) 9 7_665
Cu Te Ce 130.73(4) 9_556 7_665
Cu Te Ce 70.87(2) 3_565 7_665
Cu Te Ce 70.71(2) 2_665 7_665
Ce Te Ce 79.964(15) 7_666 7_665
Cu Te Cs1 98.19(3) 9 1_565
Cu Te Cs1 98.19(3) 9_556 1_565
Cu Te Cs1 146.56(3) 3_565 1_565
Cu Te Cs1 84.29(3) 2_665 1_565
Ce Te Cs1 130.927(11) 7_666 1_565
Ce Te Cs1 130.927(11) 7_665 1_565
Cu Te Cs2 111.36(3) 9 4_565
Cu Te Cs2 84.78(3) 9_556 4_565
Cu Te Cs2 143.14(3) 3_565 4_565
Cu Te Cs2 84.53(3) 2_665 4_565
Ce Te Cs2 116.453(9) 7_666 4_565
Ce Te Cs2 144.164(14) 7_665 4_565
Cs1 Te Cs2 16.511(3) 1_565 4_565
Cu Te Cs2 84.78(3) 9 1_565
Cu Te Cs2 111.36(3) 9_556 1_565
Cu Te Cs2 143.14(3) 3_565 1_565
Cu Te Cs2 84.53(3) 2_665 1_565
Ce Te Cs2 144.164(14) 7_666 1_565
Ce Te Cs2 116.453(9) 7_665 1_565
Cs1 Te Cs2 16.511(3) 1_565 1_565
Cs2 Te Cs2 33.023(7) 4_565 1_565
Cu Te Cs1 122.07(3) 9 7_566
Cu Te Cs1 73.39(3) 9_556 7_566
Cu Te Cs1 135.87(2) 3_565 7_566
Cu Te Cs1 85.09(3) 2_665 7_566
Ce Te Cs1 103.640(8) 7_666 7_566
Ce Te Cs1 153.023(16) 7_665 7_566
Cs1 Te Cs1 30.662(5) 1_565 7_566
Cs2 Te Cs1 14.151(2) 4_565 7_566
Cs2 Te Cs1 47.173(9) 1_565 7_566
Cu Te Cs1 73.39(3) 9 7_565
Cu Te Cs1 122.07(3) 9_556 7_565
Cu Te Cs1 135.87(2) 3_565 7_565
Cu Te Cs1 85.09(3) 2_665 7_565
Ce Te Cs1 153.023(16) 7_666 7_565
Ce Te Cs1 103.640(8) 7_665 7_565
Cs1 Te Cs1 30.662(5) 1_565 7_565
Cs2 Te Cs1 47.173(9) 4_565 7_565
Cs2 Te Cs1 14.151(2) 1_565 7_565
Cs1 Te Cs1 61.324(11) 7_566 7_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce Te 3.2619(5) 7_666
Ce Te 3.2619(5) 7_665
Ce Te 3.2619(5) 9_655
Ce Te 3.2619(5) 9_656
Ce Te 3.2619(5) 8_556
Ce Te 3.2619(5) 8
Ce Cu 3.3258(13) 3_665
Ce Cu 3.3258(13) 2_655
Ce Cu 3.3258(13) .
Ce Cu 3.4508(10) 8
Ce Cu 3.4508(10) 8_556
Ce Cu 3.4508(10) 9_656
Cu Te 2.6175(8) 8_556
Cu Te 2.6175(8) 8
Cu Te 2.6214(14) 2_665
Cu Te 2.6361(14) 3_565
Cu Cu 2.7734(18) 7_665
Cu Cu 2.7734(18) 7_666
Cu Ce 3.4508(10) 7_665
Cu Ce 3.4508(10) 7_666
Te Cu 2.6175(8) 9
Te Cu 2.6175(8) 9_556
Te Cu 2.6214(14) 3_565
Te Cu 2.6362(14) 2_665
Te Ce 3.2619(5) 7_666
Te Ce 3.2619(5) 7_665
