#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:48:25 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178917 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/46/4114683.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_4114683
loop_
_publ_author_name
'Kuei-Fang Hsu'
'Duck-Young Chung'
'Sangeeta Lal'
'Antje Mrotzek'
'Theodora Kyratsi'
'Tim Hogan'
'Mercouri G. Kanatzidis'
_publ_section_title
;
 CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with
 Low-Dimensional Structures
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2410
_journal_page_last               2411
_journal_paper_doi               10.1021/ja017602i
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'Cs0.91 Pb1.91 Bi3.09 Te7'
_chemical_formula_sum            'Bi3.09 Cs0.91 Pb1.91 Te7'
_chemical_formula_weight         2055.65
_chemical_name_systematic
; 
 cesium lead bismuth telluride (0.91/1.91/3.09/7) 
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_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            8
_cell_length_a                   4.3456(6)
_cell_length_b                   32.476(5)
_cell_length_c                   12.5075(18)
_cell_measurement_reflns_used    896
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.20
_cell_measurement_theta_min      3.17
_cell_volume                     1765.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3928
_diffrn_reflns_theta_full        23.24
_diffrn_reflns_theta_max         23.24
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    124.317
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5252
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 The absorption correction was based on 2575 symmetry-equivalent reflections
 using the SADABS program. Sheldric, G. M. (1996). SADABS. Bruker Area Detector 
 Absorption Correction Software. University of Gottingen, Germany. 
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    15.559
_exptl_crystal_description       needle
_exptl_crystal_F_000             6656
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.540
_refine_diff_density_min         -4.194
_refine_diff_density_rms         0.542
_refine_ls_extinction_coef       0.000023(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     48
_refine_ls_number_reflns         769
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0410
_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)+(0.0645P)²+166.5121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1179
_reflns_number_gt                646
_reflns_number_total             769
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja017602i_2.cif
_cod_data_source_block           CsPb2Bi3Te7
_cod_database_code               4114683
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'
'-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
Bi1 Bi 0.5000 0.14721(3) 0.49680(8) 0.0200(4) Uani 1 2 d S
Bi2 Bi 0.0000 0.07730(5) 0.7500 0.0243(5) Uani 1 4 d S
Bi3 Bi 0.0000 0.06990(5) 0.2500 0.0234(5) Uani 1 4 d S
Bi4 Bi 0.5000 0.0000 0.5000 0.0224(5) Uani 1 4 d S
Cs1 Cs 0.5000 0.25225(9) 0.2500 0.0329(8) Uani 0.91 4 d SP
Te1 Te 0.0000 0.20736(6) 0.47930(16) 0.0210(5) Uani 1 2 d S
Te2 Te 0.5000 0.14367(8) 0.7500 0.0199(7) Uani 1 4 d S
Te3 Te 0.5000 0.13431(8) 0.2500 0.0170(6) Uani 1 4 d S
Te4 Te 0.0000 0.06924(5) 0.49912(12) 0.0148(5) Uani 1 2 d S
Te5 Te 0.5000 0.00312(7) 0.7500 0.0160(6) 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
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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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
Te1 Bi1 Te1 95.73(7) 1_655 . yes
Te1 Bi1 Te3 90.89(5) 1_655 . yes
Te1 Bi1 Te3 90.89(5) . . yes
Te1 Bi1 Te2 95.67(5) 1_655 . yes
Te1 Bi1 Te2 95.67(5) . . yes
Te3 Bi1 Te2 170.19(8) . . yes
Te1 Bi1 Te4 171.69(5) 1_655 . yes
Te1 Bi1 Te4 91.36(3) . . yes
Te3 Bi1 Te4 84.64(5) . . yes
Te2 Bi1 Te4 87.92(5) . . yes
Te1 Bi1 Te4 91.36(3) 1_655 1_655 yes
Te1 Bi1 Te4 171.69(5) . 1_655 yes
Te3 Bi1 Te4 84.64(5) . 1_655 yes
Te2 Bi1 Te4 87.92(5) . 1_655 yes
Te4 Bi1 Te4 81.26(4) . 1_655 yes
Te2 Bi2 Te2 90.46(8) . 1_455 yes
Te2 Bi2 Te4 93.36(3) . 10_557 yes
Te2 Bi2 Te4 93.36(3) 1_455 10_557 yes
Te2 Bi2 Te4 93.36(3) . . yes
Te2 Bi2 Te4 93.36(3) 1_455 . yes
Te4 Bi2 Te4 170.47(8) 10_557 . yes
Te2 Bi2 Te5 176.82(6) . 1_455 yes
Te2 Bi2 Te5 92.72(4) 1_455 1_455 yes
Te4 Bi2 Te5 86.46(3) 10_557 1_455 yes
Te4 Bi2 Te5 86.46(3) . 1_455 yes
Te2 Bi2 Te5 92.72(4) . . yes
Te2 Bi2 Te5 176.82(6) 1_455 . yes
Te4 Bi2 Te5 86.46(3) 10_557 . yes
Te4 Bi2 Te5 86.46(3) . . yes
Te5 Bi2 Te5 84.10(7) 1_455 . yes
Te3 Bi3 Te3 92.18(8) . 1_455 yes
Te3 Bi3 Te4 90.28(3) . . yes
Te3 Bi3 Te4 90.28(3) 1_455 . yes
Te3 Bi3 Te4 90.28(3) . 10_556 yes
Te3 Bi3 Te4 90.28(3) 1_455 10_556 yes
Te4 Bi3 Te4 179.20(8) . 10_556 yes
Te3 Bi3 Te5 176.41(6) . 9_556 yes
Te3 Bi3 Te5 91.41(4) 1_455 9_556 yes
Te4 Bi3 Te5 89.71(3) . 9_556 yes
Te4 Bi3 Te5 89.71(3) 10_556 9_556 yes
Te3 Bi3 Te5 91.41(4) . 9_656 yes
Te3 Bi3 Te5 176.41(6) 1_455 9_656 yes
Te4 Bi3 Te5 89.71(3) . 9_656 yes
Te4 Bi3 Te5 89.71(3) 10_556 9_656 yes
Te5 Bi3 Te5 84.99(7) 9_556 9_656 yes
Te4 Bi4 Te4 180.00(4) 9_556 1_655 yes
Te4 Bi4 Te4 88.04(4) 9_556 9_656 yes
Te4 Bi4 Te4 91.96(4) 1_655 9_656 yes
Te4 Bi4 Te4 91.96(4) 9_556 . yes
Te4 Bi4 Te4 88.04(4) 1_655 . yes
Te4 Bi4 Te4 180.0 9_656 . yes
Te4 Bi4 Te5 88.87(4) 9_556 9_656 yes
Te4 Bi4 Te5 91.13(4) 1_655 9_656 yes
Te4 Bi4 Te5 88.87(4) 9_656 9_656 yes
Te4 Bi4 Te5 91.13(4) . 9_656 yes
Te4 Bi4 Te5 91.13(4) 9_556 . yes
Te4 Bi4 Te5 88.87(4) 1_655 . yes
Te4 Bi4 Te5 91.13(4) 9_656 . yes
Te4 Bi4 Te5 88.87(4) . . yes
Te5 Bi4 Te5 180.0 9_656 . yes
Te1 Cs1 Te1 137.64(10) 13_556 6_554 no
Te1 Cs1 Te3 111.18(5) 13_556 . no
Te1 Cs1 Te3 111.18(5) 6_554 . no
Te1 Cs1 Te1 145.54(2) 13_556 10_556 no
Te1 Cs1 Te1 56.41(4) 6_554 10_556 no
Te3 Cs1 Te1 67.95(5) . 10_556 no
Te1 Cs1 Te1 56.41(4) 13_556 1_655 no
Te1 Cs1 Te1 145.54(2) 6_554 1_655 no
Te3 Cs1 Te1 67.95(5) . 1_655 no
Te1 Cs1 Te1 135.89(10) 10_556 1_655 no
Te1 Cs1 Te1 145.54(2) 13_556 10_656 no
Te1 Cs1 Te1 56.41(4) 6_554 10_656 no
Te3 Cs1 Te1 67.95(5) . 10_656 no
Te1 Cs1 Te1 68.07(4) 10_556 10_656 no
Te1 Cs1 Te1 95.25(6) 1_655 10_656 no
Te1 Cs1 Te1 56.41(4) 13_556 . no
Te1 Cs1 Te1 145.54(2) 6_554 . no
Te3 Cs1 Te1 67.95(5) . . no
Te1 Cs1 Te1 95.25(6) 10_556 . no
Te1 Cs1 Te1 68.07(4) 1_655 . no
Te1 Cs1 Te1 135.89(10) 10_656 . no
Te1 Cs1 Te2 72.31(5) 13_556 13_656 no
Te1 Cs1 Te2 72.31(5) 6_554 13_656 no
Te3 Cs1 Te2 147.27(3) . 13_656 no
Te1 Cs1 Te2 128.21(5) 10_556 13_656 no
Te1 Cs1 Te2 90.76(4) 1_655 13_656 no
Te1 Cs1 Te2 90.76(4) 10_656 13_656 no
Te1 Cs1 Te2 128.21(5) . 13_656 no
Te1 Cs1 Te2 72.31(5) 13_556 13_556 no
Te1 Cs1 Te2 72.31(5) 6_554 13_556 no
Te3 Cs1 Te2 147.27(3) . 13_556 no
Te1 Cs1 Te2 90.76(4) 10_556 13_556 no
Te1 Cs1 Te2 128.21(5) 1_655 13_556 no
Te1 Cs1 Te2 128.21(5) 10_656 13_556 no
Te1 Cs1 Te2 90.76(4) . 13_556 no
Te2 Cs1 Te2 65.46(6) 13_656 13_556 no
Te1 Cs1 Cs1 90.0 13_556 1_455 no
Te1 Cs1 Cs1 90.0 6_554 1_455 no
Te3 Cs1 Cs1 90.0 . 1_455 no
Te1 Cs1 Cs1 55.97(2) 10_556 1_455 no
Te1 Cs1 Cs1 124.03(2) 1_655 1_455 no
Te1 Cs1 Cs1 124.03(2) 10_656 1_455 no
Te1 Cs1 Cs1 55.97(2) . 1_455 no
Te2 Cs1 Cs1 122.73(3) 13_656 1_455 no
Te2 Cs1 Cs1 57.27(3) 13_556 1_455 no
Te1 Cs1 Cs1 90.0 13_556 1_655 no
Te1 Cs1 Cs1 90.0 6_554 1_655 no
Te3 Cs1 Cs1 90.0 . 1_655 no
Te1 Cs1 Cs1 124.03(2) 10_556 1_655 no
Te1 Cs1 Cs1 55.97(2) 1_655 1_655 no
Te1 Cs1 Cs1 55.97(2) 10_656 1_655 no
Te1 Cs1 Cs1 124.03(2) . 1_655 no
Te2 Cs1 Cs1 57.27(3) 13_656 1_655 no
Te2 Cs1 Cs1 122.73(3) 13_556 1_655 no
Cs1 Cs1 Cs1 180.0 1_455 1_655 no
Te1 Cs1 Bi1 153.32(7) 13_556 10_556 no
Te1 Cs1 Bi1 69.04(4) 6_554 10_556 no
Te3 Cs1 Bi1 42.14(3) . 10_556 no
Te1 Cs1 Bi1 39.28(3) 10_556 10_556 no
Te1 Cs1 Bi1 102.55(6) 1_655 10_556 no
Te1 Cs1 Bi1 39.28(3) 10_656 10_556 no
Te1 Cs1 Bi1 102.55(6) . 10_556 no
Te2 Cs1 Bi1 128.589(15) 13_656 10_556 no
Te2 Cs1 Bi1 128.589(15) 13_556 10_556 no
Cs1 Cs1 Bi1 90.0 1_455 10_556 no
Cs1 Cs1 Bi1 90.0 1_655 10_556 no
Bi1 Te1 Bi1 95.73(7) 1_455 . no
Bi1 Te1 Cs1 99.86(6) 1_455 13_556 no
Bi1 Te1 Cs1 99.86(6) . 13_556 no
Bi1 Te1 Cs1 83.71(4) 1_455 1_455 no
Bi1 Te1 Cs1 136.10(7) . 1_455 no
Cs1 Te1 Cs1 123.59(4) 13_556 1_455 no
Bi1 Te1 Cs1 136.10(7) 1_455 . no
Bi1 Te1 Cs1 83.71(4) . . no
Cs1 Te1 Cs1 123.59(4) 13_556 . no
Cs1 Te1 Cs1 68.07(4) 1_455 . no
Bi2 Te2 Bi2 90.46(8) . 1_655 no
Bi2 Te2 Bi1 91.46(3) . . no
Bi2 Te2 Bi1 91.46(3) 1_655 . no
Bi2 Te2 Bi1 91.46(3) . 10_557 no
Bi2 Te2 Bi1 91.46(3) 1_655 10_557 no
Bi1 Te2 Bi1 175.84(10) . 10_557 no
Bi2 Te2 Cs1 167.50(6) . 13_656 no
Bi2 Te2 Cs1 102.04(4) 1_655 13_656 no
Bi1 Te2 Cs1 88.25(4) . 13_656 no
Bi1 Te2 Cs1 88.25(4) 10_557 13_656 no
Bi2 Te2 Cs1 102.04(4) . 13_556 no
Bi2 Te2 Cs1 167.50(6) 1_655 13_556 no
Bi1 Te2 Cs1 88.25(4) . 13_556 no
Bi1 Te2 Cs1 88.25(4) 10_557 13_556 no
Cs1 Te2 Cs1 65.46(6) 13_656 13_556 no
Bi3 Te3 Bi3 92.18(8) . 1_655 no
Bi3 Te3 Bi1 95.35(3) . . no
Bi3 Te3 Bi1 95.35(3) 1_655 . no
Bi3 Te3 Bi1 95.35(3) . 10_556 no
Bi3 Te3 Bi1 95.35(3) 1_655 10_556 no
Bi1 Te3 Bi1 164.55(10) . 10_556 no
Bi3 Te3 Cs1 133.91(4) . . no
Bi3 Te3 Cs1 133.91(4) 1_655 . no
Bi1 Te3 Cs1 82.27(5) . . no
Bi1 Te3 Cs1 82.27(5) 10_556 . no
Bi3 Te4 Bi4 90.49(4) . 1_455 no
Bi3 Te4 Bi4 90.49(4) . . no
Bi4 Te4 Bi4 88.04(4) 1_455 . no
Bi3 Te4 Bi2 174.83(7) . . no
Bi4 Te4 Bi2 93.23(4) 1_455 . no
Bi4 Te4 Bi2 93.23(4) . . no
Bi3 Te4 Bi1 89.20(4) . . no
Bi4 Te4 Bi1 176.60(4) 1_455 . no
Bi4 Te4 Bi1 95.351(16) . . no
Bi2 Te4 Bi1 86.88(4) . . no
Bi3 Te4 Bi1 89.20(4) . 1_455 no
Bi4 Te4 Bi1 95.351(16) 1_455 1_455 no
Bi4 Te4 Bi1 176.60(4) . 1_455 no
Bi2 Te4 Bi1 86.88(4) . 1_455 no
Bi1 Te4 Bi1 81.26(4) . 1_455 no
Bi4 Te5 Bi4 176.29(8) . 2_655 no
Bi4 Te5 Bi3 88.63(3) . 9_556 no
Bi4 Te5 Bi3 88.63(3) 2_655 9_556 no
Bi4 Te5 Bi3 88.63(3) . 9_656 no
Bi4 Te5 Bi3 88.63(3) 2_655 9_656 no
Bi3 Te5 Bi3 84.99(7) 9_556 9_656 no
Bi4 Te5 Bi2 91.38(3) . 1_655 no
Bi4 Te5 Bi2 91.38(3) 2_655 1_655 no
Bi3 Te5 Bi2 179.55(6) 9_556 1_655 no
Bi3 Te5 Bi2 95.45(3) 9_656 1_655 no
Bi4 Te5 Bi2 91.38(3) . . no
Bi4 Te5 Bi2 91.38(3) 2_655 . no
Bi3 Te5 Bi2 95.45(3) 9_556 . no
Bi3 Te5 Bi2 179.55(6) 9_656 . no
Bi2 Te5 Bi2 84.10(7) 1_655 . no
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
Bi1 Te1 2.9301(15) 1_655 yes
Bi1 Te1 2.9301(15) . yes
Bi1 Te3 3.1152(11) . yes
Bi1 Te2 3.1689(11) . yes
Bi1 Te4 3.3368(15) . yes
Bi1 Te4 3.3368(15) 1_655 yes
Bi2 Te2 3.061(2) . yes
Bi2 Te2 3.061(2) 1_455 yes
Bi2 Te4 3.1487(16) 10_557 yes
Bi2 Te4 3.1487(16) . yes
Bi2 Te5 3.244(2) 1_455 yes
Bi2 Te5 3.244(2) . yes
Bi3 Te3 3.016(2) . yes
Bi3 Te3 3.016(2) 1_455 yes
Bi3 Te4 3.1160(16) . yes
Bi3 Te4 3.1160(16) 10_556 yes
Bi3 Te5 3.216(2) 9_556 yes
Bi3 Te5 3.216(2) 9_656 yes
Bi4 Te4 3.1269(12) 9_556 yes
Bi4 Te4 3.1269(12) 1_655 yes
Bi4 Te4 3.1269(12) 9_656 yes
Bi4 Te4 3.1269(12) . yes
Bi4 Te5 3.1285(5) 9_656 yes
Bi4 Te5 3.1285(4) . yes
Cs1 Te1 3.631(2) 13_556 yes
Cs1 Te1 3.631(2) 6_554 yes
Cs1 Te3 3.830(4) . yes
Cs1 Te1 3.882(2) 10_556 yes
Cs1 Te1 3.882(2) 1_655 yes
Cs1 Te1 3.882(2) 10_656 yes
Cs1 Te1 3.882(2) . yes
Cs1 Te2 4.018(3) 13_656 yes
Cs1 Te2 4.018(3) 13_556 yes
Cs1 Cs1 4.3456(6) 1_455 no
Cs1 Cs1 4.3456(6) 1_655 no
Cs1 Bi1 4.601(2) 10_556 no
Te1 Bi1 2.9301(15) 1_455 no
Te1 Cs1 3.631(2) 13_556 no
Te1 Cs1 3.882(2) 1_455 no
Te2 Bi2 3.061(2) 1_655 no
Te2 Bi1 3.1689(11) 10_557 no
Te2 Cs1 4.018(3) 13_656 no
Te2 Cs1 4.018(3) 13_556 no
Te3 Bi3 3.016(2) 1_655 no
Te3 Bi1 3.1152(11) 10_556 no
Te4 Bi4 3.1269(12) 1_455 no
Te4 Bi1 3.3368(15) 1_455 no
Te5 Bi4 3.1285(5) 2_655 no
Te5 Bi3 3.216(2) 9_556 no
Te5 Bi3 3.216(2) 9_656 no
Te5 Bi2 3.244(2) 1_655 no
