#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/08/4000800.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_4000800
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         'Cu1.77 Nd0.67 Rb0.23 Te2'
_chemical_formula_sum            'Cu1.77 Nd0.67 Rb0.23 Te2'
_chemical_formula_weight         483.56
_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                   9.9985(8)
_cell_length_b                   9.9985(8)
_cell_length_c                   4.1487(6)
_cell_measurement_reflns_used    487
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4797
_cell_measurement_theta_min      2.3520
_cell_volume                     359.18(7)
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0394
_diffrn_reflns_av_sigmaI/netI    0.0170
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            2753
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    29.034
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3618
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    6.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.291
_refine_diff_density_min         -1.602
_refine_diff_density_rms         0.249
_refine_ls_extinction_coef       0.044(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.277
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         307
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.360
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0211
_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)+(0.0206P)²+2.2450P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                306
_reflns_number_total             307
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm201574a_si_001.cif
_cod_data_source_block           Rb0.70Nd2Cu5.30Te6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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      'P 63/m '
_cod_database_code               4000800
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
Rb1 Rb 0.0000 0.0000 0.2500 0.049(5) Uani 0.178(11) 6 d SPU
Rb2 Rb 0.0000 0.0000 0.0000 0.054(5) Uani 0.170(12) 6 d SPU
Nd Nd 0.6667 0.3333 0.2500 0.0128(3) Uani 1 6 d S
Cu Cu 0.03316(13) 0.59864(14) 0.2500 0.0190(3) Uani 0.884(3) 2 d SP
Te Te 0.12140(6) 0.39268(6) 0.2500 0.0147(3) 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'
Rb Rb -0.9393 2.9676 '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'
Nd Nd -0.1943 3.0179 '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
Rb2 Rb1 Rb2 180.0 4 .
Rb2 Rb1 Rb1 0.0 4 7_556
Rb2 Rb1 Rb1 180.0 . 7_556
Rb2 Rb1 Rb1 180.0 4 7
Rb2 Rb1 Rb1 0.0 . 7
Rb1 Rb1 Rb1 180.0 7_556 7
Rb2 Rb1 Rb2 180.0 4 4_554
Rb2 Rb1 Rb2 0.0 . 4_554
Rb1 Rb1 Rb2 180.0 7_556 4_554
Rb1 Rb1 Rb2 0.0 7 4_554
Rb2 Rb1 Rb2 0.0 4 1_556
Rb2 Rb1 Rb2 180.0 . 1_556
Rb1 Rb1 Rb2 0.0 7_556 1_556
Rb1 Rb1 Rb2 180.0 7 1_556
Rb2 Rb1 Rb2 180.0 4_554 1_556
Rb2 Rb1 Te 90.0 4 2
Rb2 Rb1 Te 90.0 . 2
Rb1 Rb1 Te 90.0 7_556 2
Rb1 Rb1 Te 90.0 7 2
Rb2 Rb1 Te 90.0 4_554 2
Rb2 Rb1 Te 90.0 1_556 2
Rb2 Rb1 Te 90.0 4 .
Rb2 Rb1 Te 90.0 . .
Rb1 Rb1 Te 90.0 7_556 .
Rb1 Rb1 Te 90.0 7 .
Rb2 Rb1 Te 90.0 4_554 .
Rb2 Rb1 Te 90.0 1_556 .
Te Rb1 Te 120.0 2 .
Rb2 Rb1 Te 90.0 4 3
Rb2 Rb1 Te 90.0 . 3
Rb1 Rb1 Te 90.0 7_556 3
Rb1 Rb1 Te 90.0 7 3
Rb2 Rb1 Te 90.0 4_554 3
Rb2 Rb1 Te 90.0 1_556 3
Te Rb1 Te 120.0 2 3
Te Rb1 Te 120.0 . 3
Rb2 Rb1 Te 59.214(6) 4 8_556
Rb2 Rb1 Te 120.786(6) . 8_556
Rb1 Rb1 Te 59.214(6) 7_556 8_556
Rb1 Rb1 Te 120.786(5) 7 8_556
Rb2 Rb1 Te 120.786(5) 4_554 8_556
Rb2 Rb1 Te 59.214(5) 1_556 8_556
Te Rb1 Te 149.214(6) 2 8_556
Te Rb1 Te 64.561(2) . 8_556
Te Rb1 Te 64.561(2) 3 8_556
Rb2 Rb1 Te 120.786(5) 4 7
Rb2 Rb1 Te 59.214(6) . 7
Rb1 Rb1 Te 120.786(6) 7_556 7
Rb1 Rb1 Te 59.214(6) 7 7
Rb2 Rb1 Te 59.214(6) 4_554 7
Rb2 Rb1 Te 120.786(6) 1_556 7
Te Rb1 Te 64.561(2) 2 7
Te Rb1 Te 149.214(6) . 7
Te Rb1 Te 64.561(2) 3 7
Te Rb1 Te 129.123(3) 8_556 7
Rb2 Rb1 Te 59.214(6) 4 7_556
Rb2 Rb1 Te 120.786(5) . 7_556
Rb1 Rb1 Te 59.214(5) 7_556 7_556
Rb1 Rb1 Te 120.786(5) 7 7_556
Rb2 Rb1 Te 120.786(5) 4_554 7_556
Rb2 Rb1 Te 59.214(5) 1_556 7_556
Te Rb1 Te 64.561(2) 2 7_556
Te Rb1 Te 149.214(6) . 7_556
Te Rb1 Te 64.561(2) 3 7_556
Te Rb1 Te 96.145(7) 8_556 7_556
Te Rb1 Te 61.571(11) 7 7_556
Rb1 Rb2 Rb1 180.0 7 .
Rb1 Rb2 Rb2 180.0 7 4
Rb1 Rb2 Rb2 0.0 . 4
Rb1 Rb2 Rb2 0.0 7 4_554
Rb1 Rb2 Rb2 180.0 . 4_554
Rb2 Rb2 Rb2 180.0 4 4_554
Rb1 Rb2 Rb1 0.0 7 1_554
Rb1 Rb2 Rb1 180.0 . 1_554
Rb2 Rb2 Rb1 180.0 4 1_554
Rb2 Rb2 Rb1 0.0 4_554 1_554
Rb1 Rb2 Rb1 180.0 7 7_556
Rb1 Rb2 Rb1 0.0 . 7_556
Rb2 Rb2 Rb1 0.0 4 7_556
Rb2 Rb2 Rb1 180.0 4_554 7_556
Rb1 Rb2 Rb1 180.0 1_554 7_556
Rb1 Rb2 Te 73.412(3) 7 7
Rb1 Rb2 Te 106.588(3) . 7
Rb2 Rb2 Te 106.588(3) 4 7
Rb2 Rb2 Te 73.412(3) 4_554 7
Rb1 Rb2 Te 73.412(3) 1_554 7
Rb1 Rb2 Te 106.588(3) 7_556 7
Rb1 Rb2 Te 106.588(3) 7 .
Rb1 Rb2 Te 73.412(3) . .
Rb2 Rb2 Te 73.412(3) 4 .
Rb2 Rb2 Te 106.588(3) 4_554 .
Rb1 Rb2 Te 106.588(3) 1_554 .
Rb1 Rb2 Te 73.412(3) 7_556 .
Te Rb2 Te 180.0 7 .
Rb1 Rb2 Te 106.588(3) 7 2
Rb1 Rb2 Te 73.412(3) . 2
Rb2 Rb2 Te 73.412(3) 4 2
Rb2 Rb2 Te 106.588(3) 4_554 2
Rb1 Rb2 Te 106.588(3) 1_554 2
Rb1 Rb2 Te 73.412(3) 7_556 2
Te Rb2 Te 67.806(3) 7 2
Te Rb2 Te 112.194(3) . 2
Rb1 Rb2 Te 73.412(3) 7 8
Rb1 Rb2 Te 106.588(3) . 8
Rb2 Rb2 Te 106.588(3) 4 8
Rb2 Rb2 Te 73.412(3) 4_554 8
Rb1 Rb2 Te 73.412(3) 1_554 8
Rb1 Rb2 Te 106.588(3) 7_556 8
Te Rb2 Te 112.194(3) 7 8
Te Rb2 Te 67.806(3) . 8
Te Rb2 Te 180.000(17) 2 8
Rb1 Rb2 Te 73.412(3) 7 9
Rb1 Rb2 Te 106.588(3) . 9
Rb2 Rb2 Te 106.588(3) 4 9
Rb2 Rb2 Te 73.412(3) 4_554 9
Rb1 Rb2 Te 73.412(3) 1_554 9
Rb1 Rb2 Te 106.588(3) 7_556 9
Te Rb2 Te 112.194(3) 7 9
Te Rb2 Te 67.806(3) . 9
Te Rb2 Te 67.806(3) 2 9
Te Rb2 Te 112.194(3) 8 9
Rb1 Rb2 Te 106.588(3) 7 3
Rb1 Rb2 Te 73.412(3) . 3
Rb2 Rb2 Te 73.412(3) 4 3
Rb2 Rb2 Te 106.588(3) 4_554 3
Rb1 Rb2 Te 106.588(3) 1_554 3
Rb1 Rb2 Te 73.412(3) 7_556 3
Te Rb2 Te 67.806(3) 7 3
Te Rb2 Te 112.194(3) . 3
Te Rb2 Te 112.194(3) 2 3
Te Rb2 Te 67.806(3) 8 3
Te Rb2 Te 180.000(13) 9 3
Te Nd Te 79.639(15) 9_655 9_656
Te Nd Te 134.833(5) 9_655 7_666
Te Nd Te 83.390(11) 9_656 7_666
Te Nd Te 83.390(11) 9_655 7_665
Te Nd Te 134.833(5) 9_656 7_665
Te Nd Te 79.639(15) 7_666 7_665
Te Nd Te 83.390(11) 9_655 8
Te Nd Te 134.833(5) 9_656 8
Te Nd Te 134.833(5) 7_666 8
Te Nd Te 83.390(11) 7_665 8
Te Nd Te 134.833(5) 9_655 8_556
Te Nd Te 83.390(11) 9_656 8_556
Te Nd Te 83.390(11) 7_666 8_556
Te Nd Te 134.833(5) 7_665 8_556
Te Nd Te 79.639(15) 8 8_556
Te Nd Cu 47.288(13) 9_655 3
Te Nd Cu 47.288(13) 9_656 3
Te Nd Cu 130.631(14) 7_666 3
Te Nd Cu 130.631(14) 7_665 3
Te Nd Cu 91.555(19) 8 3
Te Nd Cu 91.555(19) 8_556 3
Te Nd Cu 91.555(19) 9_655 1_655
Te Nd Cu 91.555(19) 9_656 1_655
Te Nd Cu 47.288(13) 7_666 1_655
Te Nd Cu 47.288(13) 7_665 1_655
Te Nd Cu 130.631(14) 8 1_655
Te Nd Cu 130.631(14) 8_556 1_655
Cu Nd Cu 120.0 3 1_655
Te Nd Cu 130.631(14) 9_655 2_665
Te Nd Cu 130.631(14) 9_656 2_665
Te Nd Cu 91.555(18) 7_666 2_665
Te Nd Cu 91.555(18) 7_665 2_665
Te Nd Cu 47.288(13) 8 2_665
Te Nd Cu 47.288(13) 8_556 2_665
Cu Nd Cu 120.0 3 2_665
Cu Nd Cu 120.0 1_655 2_665
Te Nd Cu 94.721(18) 9_655 7_666
Te Nd Cu 46.11(2) 9_656 7_666
Te Nd Cu 46.09(2) 7_666 7_666
Te Nd Cu 94.712(18) 7_665 7_666
Te Nd Cu 177.453(13) 8 7_666
Te Nd Cu 102.908(16) 8_556 7_666
Cu Nd Cu 88.40(3) 3 7_666
Cu Nd Cu 47.57(2) 1_655 7_666
Cu Nd Cu 134.65(3) 2_665 7_666
Te Nd Cu 46.11(2) 9_655 7_665
Te Nd Cu 94.720(18) 9_656 7_665
Te Nd Cu 94.712(18) 7_666 7_665
Te Nd Cu 46.09(2) 7_665 7_665
Te Nd Cu 102.908(16) 8 7_665
Te Nd Cu 177.453(13) 8_556 7_665
Cu Nd Cu 88.40(3) 3 7_665
Cu Nd Cu 47.57(2) 1_655 7_665
Cu Nd Cu 134.65(3) 2_665 7_665
Cu Nd Cu 74.55(2) 7_666 7_665
Te Nd Cu 46.09(2) 9_655 9_655
Te Nd Cu 94.712(18) 9_656 9_655
Te Nd Cu 177.453(13) 7_666 9_655
Te Nd Cu 102.908(16) 7_665 9_655
Te Nd Cu 46.11(2) 8 9_655
Te Nd Cu 94.720(18) 8_556 9_655
Cu Nd Cu 47.57(2) 3 9_655
Cu Nd Cu 134.65(3) 1_655 9_655
Cu Nd Cu 88.40(4) 2_665 9_655
Cu Nd Cu 133.109(8) 7_666 9_655
Cu Nd Cu 87.126(18) 7_665 9_655
Te Cu Te 105.04(5) 7_565 7_566
Te Cu Te 117.65(3) 7_565 .
Te Cu Te 117.65(3) 7_566 .
Te Cu Te 101.62(4) 7_565 3_565
Te Cu Te 101.62(4) 7_566 3_565
Te Cu Te 110.97(5) . 3_565
Te Cu Cu 58.84(3) 7_565 7_565
Te Cu Cu 134.34(7) 7_566 7_565
Te Cu Cu 58.81(4) . 7_565
Te Cu Cu 122.70(5) 3_565 7_565
Te Cu Cu 134.34(7) 7_565 7_566
Te Cu Cu 58.84(3) 7_566 7_566
Te Cu Cu 58.81(4) . 7_566
Te Cu Cu 122.70(5) 3_565 7_566
Cu Cu Cu 100.07(8) 7_565 7_566
Te Cu Nd 65.58(3) 7_565 1_455
Te Cu Nd 65.58(3) 7_566 1_455
Te Cu Nd 92.50(4) . 1_455
Te Cu Nd 156.53(5) 3_565 1_455
Cu Cu Nd 69.07(5) 7_565 1_455
Cu Cu Nd 69.07(5) 7_566 1_455
Te Cu Nd 161.42(4) 7_565 7_666
Te Cu Nd 89.237(15) 7_566 7_666
Te Cu Nd 63.20(2) . 7_666
Te Cu Nd 63.20(2) 3_565 7_666
Cu Cu Nd 118.68(6) 7_565 7_666
Cu Cu Nd 63.36(4) 7_566 7_666
Nd Cu Nd 132.43(2) 1_455 7_666
Te Cu Nd 89.237(16) 7_565 7_665
Te Cu Nd 161.42(4) 7_566 7_665
Te Cu Nd 63.20(2) . 7_665
Te Cu Nd 63.20(2) 3_565 7_665
Cu Cu Nd 63.36(4) 7_565 7_665
Cu Cu Nd 118.68(6) 7_566 7_665
Nd Cu Nd 132.43(2) 1_455 7_665
Nd Cu Nd 74.55(2) 7_666 7_665
Te Cu Rb1 68.71(3) 7_565 1_565
Te Cu Rb1 68.71(3) 7_566 1_565
Te Cu Rb1 166.94(4) . 1_565
Te Cu Rb1 55.97(2) 3_565 1_565
Cu Cu Rb1 126.18(4) 7_565 1_565
Cu Cu Rb1 126.18(4) 7_566 1_565
Nd Cu Rb1 100.57(3) 1_455 1_565
Nd Cu Rb1 106.92(3) 7_666 1_565
Nd Cu Rb1 106.92(3) 7_665 1_565
Cu Te Cu 105.04(5) 7_565 7_566
Cu Te Cu 62.35(3) 7_565 .
Cu Te Cu 62.35(3) 7_566 .
Cu Te Cu 126.72(2) 7_565 2_665
Cu Te Cu 126.72(2) 7_566 2_665
Cu Te Cu 129.03(5) . 2_665
Cu Te Nd 128.88(3) 7_565 7_666
Cu Te Nd 67.13(3) 7_566 7_666
Cu Te Nd 70.71(2) . 7_666
Cu Te Nd 70.70(2) 2_665 7_666
Cu Te Nd 67.13(3) 7_565 7_665
Cu Te Nd 128.88(3) 7_566 7_665
Cu Te Nd 70.71(2) . 7_665
Cu Te Nd 70.70(2) 2_665 7_665
Nd Te Nd 79.639(15) 7_666 7_665
Cu Te Rb1 99.14(3) 7_565 .
Cu Te Rb1 99.14(3) 7_566 .
Cu Te Rb1 145.44(3) . .
Cu Te Rb1 85.54(3) 2_665 .
Nd Te Rb1 131.718(10) 7_666 .
Nd Te Rb1 131.718(10) 7_665 .
Cu Te Rb2 85.74(3) 7_565 .
Cu Te Rb2 112.26(3) 7_566 .
Cu Te Rb2 142.11(3) . .
Cu Te Rb2 85.72(3) 2_665 .
Nd Te Rb2 145.144(12) 7_666 .
Nd Te Rb2 117.062(9) 7_665 .
Rb1 Te Rb2 16.588(3) . .
Cu Te Rb2 112.26(3) 7_565 4
Cu Te Rb2 85.74(3) 7_566 4
Cu Te Rb2 142.11(3) . 4
Cu Te Rb2 85.72(3) 2_665 4
Nd Te Rb2 117.062(9) 7_666 4
Nd Te Rb2 145.144(12) 7_665 4
Rb1 Te Rb2 16.588(3) . 4
Rb2 Te Rb2 33.176(7) . 4
Cu Te Rb1 74.36(3) 7_565 7
Cu Te Rb1 122.87(3) 7_566 7
Cu Te Rb1 135.03(2) . 7
Cu Te Rb1 86.17(2) 2_665 7
Nd Te Rb1 154.086(14) 7_666 7
Nd Te Rb1 104.119(9) 7_665 7
Rb1 Te Rb1 30.786(6) . 7
Rb2 Te Rb1 14.197(2) . 7
Rb2 Te Rb1 47.374(9) 4 7
Cu Te Rb1 122.87(3) 7_565 7_556
Cu Te Rb1 74.36(3) 7_566 7_556
Cu Te Rb1 135.03(2) . 7_556
Cu Te Rb1 86.17(2) 2_665 7_556
Nd Te Rb1 104.119(9) 7_666 7_556
Nd Te Rb1 154.086(14) 7_665 7_556
Rb1 Te Rb1 30.786(5) . 7_556
Rb2 Te Rb1 47.374(9) . 7_556
Rb2 Te Rb1 14.197(2) 4 7_556
Rb1 Te Rb1 61.571(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
Nd Te 3.2393(5) 9_655
Nd Te 3.2393(5) 9_656
Nd Te 3.2393(5) 7_666
Nd Te 3.2393(5) 7_665
Nd Te 3.2393(5) 8
Nd Te 3.2393(5) 8_556
Nd Cu 3.2778(12) 3
Nd Cu 3.2778(12) 1_655
Nd Cu 3.2778(12) 2_665
Nd Cu 3.4252(9) 7_666
Nd Cu 3.4252(9) 7_665
Nd Cu 3.4252(9) 9_655
Cu Te 2.6139(8) 7_565
Cu Te 2.6139(8) 7_566
Cu Te 2.6146(13) .
Cu Te 2.6153(13) 3_565
Cu Cu 2.7066(15) 7_565
Cu Cu 2.7066(15) 7_566
Cu Nd 3.2778(12) 1_455
Cu Nd 3.4252(9) 7_666
Cu Nd 3.4252(9) 7_665
Te Cu 2.6139(8) 7_565
Te Cu 2.6139(8) 7_566
Te Cu 2.6153(13) 2_665
Te Nd 3.2393(5) 7_666
Te Nd 3.2393(5) 7_665
