#------------------------------------------------------------------------------
#$Date: 2019-11-08 02:06:43 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224664 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/07/1550737.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_1550737
loop_
_publ_author_name
'Xie, Jie-Ling'
'Huang, Zhao-Qian'
'Wang, Bin'
'Chen, Wei-Jun'
'Lu, Wen-Xiu'
'Liu, Xin'
'Song, Jun-Ling'
_publ_section_title
;
 New lead-free perovskite Rb₇Bi₃Cl₁₆
 nanocrystals with blue luminescence and excellent moisture-stability.
;
_journal_issue                   14
_journal_name_full               Nanoscale
_journal_page_first              6719
_journal_page_last               6726
_journal_paper_doi               10.1039/c9nr00600a
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'Bi3 Cl16 Rb7'
_chemical_formula_weight         1792.43
_space_group_crystal_system      trigonal
_space_group_IT_number           163
_space_group_name_Hall           '-P 3 2c'
_space_group_name_H-M_alt        'P -3 1 c'
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-01-21 deposited with the CCDC.    2019-03-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.5561(3)
_cell_length_b                   7.5561(3)
_cell_length_c                   34.3002(16)
_cell_measurement_reflns_used    1172
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      3.11
_cell_volume                     1695.99(12)
_computing_cell_refinement       'Bruker APEX2(Bruker AXS Inc., 2015)'
_computing_data_collection       'Bruker APEX2(Bruker AXS Inc., 2015)'
_computing_data_reduction        'Bruker APEX2(Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            16424
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.316
_diffrn_reflns_theta_min         3.113
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    26.763
_exptl_absorpt_correction_T_max  0.0195
_exptl_absorpt_correction_T_min  0.0027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bulk
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.0195
_exptl_transmission_factor_min   0.0027
_refine_diff_density_max         1.847
_refine_diff_density_min         -1.824
_refine_diff_density_rms         0.206
_refine_ls_extinction_coef       0.0042(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     84
_refine_ls_number_reflns         1172
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0476P)²+27.0489P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1081
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1079
_reflns_number_total             1172
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nr00600a2.cif
_cod_data_source_block           1_a
_cod_depositor_comments          'Adding full bibliography for 1550737.cif.'
_cod_original_cell_volume        1695.99(16)
_cod_database_code               1550737
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.0027
_shelx_estimated_absorpt_t_max   0.0195
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'x, x-y, -z+1/2'
'-x+y, y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'-x, -x+y, z-1/2'
'x-y, -y, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.000000 0.000000 0.500000 0.0415(3) Uani 1 6 d S T P . .
Cl1 Cl 0.3330(6) 0.2030(9) 0.45506(15) 0.1093(17) Uani 1 1 d . . . . .
Bi2 Bi 0.333333 0.666667 0.18448(2) 0.0351(3) Uani 1 3 d S T P . .
Cl2 Cl 0.6155(16) 0.8077(8) 0.250000 0.047(3) Uani 0.3333 2 d S T P A .
Cl3 Cl 0.0525(17) 0.5263(8) 0.250000 0.057(3) Uani 0.3333 2 d S T P A .
Cl4 Cl 0.3493(12) 1.0321(11) 0.1851(2) 0.0420(15) Uani 0.3333 1 d . . P A -1
Cl5 Cl 0.3491(12) 0.3152(11) 0.1844(2) 0.0440(16) Uani 0.3333 1 d . . P A -1
Cl6 Cl 0.0834(15) 0.5392(16) 0.1271(3) 0.063(2) Uani 0.3333 1 d . . P A -1
Cl7 Cl 0.6307(15) 0.8152(15) 0.1359(4) 0.071(3) Uani 0.3333 1 d . . P A -1
Rb1 Rb 0.000000 0.000000 0.250000 0.0460(8) Uani 0.6667 6 d S T P . .
Rb2 Rb 0.333333 0.666667 0.46475(7) 0.0701(6) Uani 1 3 d S T P . .
Rb3 Rb 0.000000 0.000000 0.37815(7) 0.0493(6) Uani 0.6667 3 d S T P . .
Rb4 Rb 0.5755(5) 0.2871(5) 0.38461(9) 0.0433(7) Uani 0.3333 1 d . . P . .
Rb5 Rb -0.2804(3) 0.2804(3) 0.250000 0.0427(9) Uani 0.3333 2 d S T P A .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
Cl1 Bi1 Cl1 180.00(12) 9_556 3
Cl1 Bi1 Cl1 90.29(14) 9_556 8_556
Cl1 Bi1 Cl1 89.71(14) 3 8_556
Cl1 Bi1 Cl1 89.71(14) 9_556 2
Cl1 Bi1 Cl1 90.29(14) 3 2
Cl1 Bi1 Cl1 180.00(18) 8_556 2
Cl1 Bi1 Cl1 90.29(14) 9_556 7_556
Cl1 Bi1 Cl1 89.71(14) 3 7_556
Cl1 Bi1 Cl1 90.29(14) 8_556 7_556
Cl1 Bi1 Cl1 89.71(14) 2 7_556
Cl1 Bi1 Cl1 89.71(14) 9_556 .
Cl1 Bi1 Cl1 90.29(14) 3 .
Cl1 Bi1 Cl1 89.71(14) 8_556 .
Cl1 Bi1 Cl1 90.29(14) 2 .
Cl1 Bi1 Cl1 180.0 7_556 .
Cl1 Bi1 Rb3 125.06(10) 9_556 .
Cl1 Bi1 Rb3 54.94(10) 3 .
Cl1 Bi1 Rb3 125.06(10) 8_556 .
Cl1 Bi1 Rb3 54.94(10) 2 .
Cl1 Bi1 Rb3 125.06(10) 7_556 .
Cl1 Bi1 Rb3 54.94(10) . .
Cl1 Bi1 Rb3 54.94(10) 9_556 7_556
Cl1 Bi1 Rb3 125.06(10) 3 7_556
Cl1 Bi1 Rb3 54.94(10) 8_556 7_556
Cl1 Bi1 Rb3 125.06(10) 2 7_556
Cl1 Bi1 Rb3 54.94(10) 7_556 7_556
Cl1 Bi1 Rb3 125.06(10) . 7_556
Rb3 Bi1 Rb3 180.0 . 7_556
Cl1 Bi1 Rb2 62.68(14) 9_556 7_666
Cl1 Bi1 Rb2 117.32(14) 3 7_666
Cl1 Bi1 Rb2 50.91(14) 8_556 7_666
Cl1 Bi1 Rb2 129.09(14) 2 7_666
Cl1 Bi1 Rb2 128.99(11) 7_556 7_666
Cl1 Bi1 Rb2 51.01(11) . 7_666
Rb3 Bi1 Rb2 105.49(3) . 7_666
Rb3 Bi1 Rb2 74.51(3) 7_556 7_666
Cl1 Bi1 Rb2 117.32(14) 9_556 1_445
Cl1 Bi1 Rb2 62.68(14) 3 1_445
Cl1 Bi1 Rb2 129.09(14) 8_556 1_445
Cl1 Bi1 Rb2 50.91(14) 2 1_445
Cl1 Bi1 Rb2 51.01(11) 7_556 1_445
Cl1 Bi1 Rb2 128.99(11) . 1_445
Rb3 Bi1 Rb2 74.51(3) . 1_445
Rb3 Bi1 Rb2 105.49(3) 7_556 1_445
Rb2 Bi1 Rb2 180.0 7_666 1_445
Cl1 Bi1 Rb2 128.99(11) 9_556 7_556
Cl1 Bi1 Rb2 51.01(11) 3 7_556
Cl1 Bi1 Rb2 62.68(14) 8_556 7_556
Cl1 Bi1 Rb2 117.32(14) 2 7_556
Cl1 Bi1 Rb2 50.91(14) 7_556 7_556
Cl1 Bi1 Rb2 129.09(14) . 7_556
Rb3 Bi1 Rb2 105.49(3) . 7_556
Rb3 Bi1 Rb2 74.51(3) 7_556 7_556
Rb2 Bi1 Rb2 113.14(2) 7_666 7_556
Rb2 Bi1 Rb2 66.86(2) 1_445 7_556
Cl1 Bi1 Rb2 51.01(11) 9_556 .
Cl1 Bi1 Rb2 128.99(11) 3 .
Cl1 Bi1 Rb2 117.32(14) 8_556 .
Cl1 Bi1 Rb2 62.68(14) 2 .
Cl1 Bi1 Rb2 129.09(14) 7_556 .
Cl1 Bi1 Rb2 50.91(14) . .
Rb3 Bi1 Rb2 74.51(3) . .
Rb3 Bi1 Rb2 105.49(3) 7_556 .
Rb2 Bi1 Rb2 66.86(2) 7_666 .
Rb2 Bi1 Rb2 113.14(2) 1_445 .
Rb2 Bi1 Rb2 180.0 7_556 .
Bi1 Cl1 Rb4 155.7(2) . .
Bi1 Cl1 Rb3 85.28(10) . .
Rb4 Cl1 Rb3 72.53(13) . .
Bi1 Cl1 Rb4 170.83(18) . 3_665
Rb4 Cl1 Rb4 15.66(9) . 3_665
Rb3 Cl1 Rb4 85.63(13) . 3_665
Bi1 Cl1 Rb2 92.78(15) . .
Rb4 Cl1 Rb2 100.05(17) . .
Rb3 Cl1 Rb2 98.80(14) . .
Rb4 Cl1 Rb2 89.75(14) 3_665 .
Bi1 Cl1 Rb2 92.68(14) . 7_666
Rb4 Cl1 Rb2 107.67(13) . 7_666
Rb3 Cl1 Rb2 170.8(2) . 7_666
Rb4 Cl1 Rb2 96.13(11) 3_665 7_666
Rb2 Cl1 Rb2 90.22(13) . 7_666
Bi1 Cl1 Rb4 159.3(2) . 2_655
Rb4 Cl1 Rb4 14.34(8) . 2_655
Rb3 Cl1 Rb4 84.48(13) . 2_655
Rb4 Cl1 Rb4 16.86(8) 3_665 2_655
Rb2 Cl1 Rb4 106.56(15) . 2_655
Rb2 Cl1 Rb4 94.59(11) 7_666 2_655
Cl6 Bi2 Cl7 89.2(4) . .
Cl6 Bi2 Cl4 92.2(3) . .
Cl7 Bi2 Cl4 88.7(3) . .
Cl6 Bi2 Cl5 91.0(3) . .
Cl7 Bi2 Cl5 88.3(3) . .
Cl4 Bi2 Cl5 175.6(2) . .
Cl6 Bi2 Cl3 142.5(3) . 2_665
Cl7 Bi2 Cl3 105.2(3) . 2_665
Cl4 Bi2 Cl3 121.9(2) . 2_665
Cl5 Bi2 Cl3 56.0(2) . 2_665
Cl6 Bi2 Cl3 101.0(3) . .
Cl7 Bi2 Cl3 169.8(3) . .
Cl4 Bi2 Cl3 91.04(15) . .
Cl5 Bi2 Cl3 91.40(16) . .
Cl3 Bi2 Cl3 66.5(3) 2_665 .
Cl6 Bi2 Cl3 143.3(3) . 3_565
Cl7 Bi2 Cl3 105.3(3) . 3_565
Cl4 Bi2 Cl3 55.5(2) . 3_565
Cl5 Bi2 Cl3 122.4(2) . 3_565
Cl3 Bi2 Cl3 66.5(3) 2_665 3_565
Cl3 Bi2 Cl3 66.5(3) . 3_565
Cl6 Bi2 Cl2 179.5(3) . .
Cl7 Bi2 Cl2 91.1(3) . .
Cl4 Bi2 Cl2 88.22(15) . .
Cl5 Bi2 Cl2 88.64(16) . .
Cl3 Bi2 Cl2 36.96(9) 2_665 .
Cl3 Bi2 Cl2 78.7(2) . .
Cl3 Bi2 Cl2 36.96(9) 3_565 .
Cl6 Bi2 Cl2 113.3(3) . 2_665
Cl7 Bi2 Cl2 138.1(2) . 2_665
Cl4 Bi2 Cl2 57.1(2) . 2_665
Cl5 Bi2 Cl2 124.2(2) . 2_665
Cl3 Bi2 Cl2 78.7(2) 2_665 2_665
Cl3 Bi2 Cl2 36.96(9) . 2_665
Cl3 Bi2 Cl2 36.96(9) 3_565 2_665
Cl2 Bi2 Cl2 66.7(3) . 2_665
Cl6 Bi2 Cl2 112.8(3) . 3_565
Cl7 Bi2 Cl2 138.0(2) . 3_565
Cl4 Bi2 Cl2 123.7(2) . 3_565
Cl5 Bi2 Cl2 57.5(2) . 3_565
Cl3 Bi2 Cl2 36.96(9) 2_665 3_565
Cl3 Bi2 Cl2 36.96(9) . 3_565
Cl3 Bi2 Cl2 78.7(2) 3_565 3_565
Cl2 Bi2 Cl2 66.7(3) . 3_565
Cl2 Bi2 Cl2 66.7(3) 2_665 3_565
Cl3 Cl2 Cl3 119.5(9) 2_665 3_565
Cl3 Cl2 Rb1 120.2(4) 2_665 1_665
Cl3 Cl2 Rb1 120.2(4) 3_565 1_665
Cl3 Cl2 Bi2 71.4(3) 2_665 4_665
Cl3 Cl2 Bi2 71.4(3) 3_565 4_665
Rb1 Cl2 Bi2 129.41(16) 1_665 4_665
Cl3 Cl2 Bi2 71.4(3) 2_665 .
Cl3 Cl2 Bi2 71.4(3) 3_565 .
Rb1 Cl2 Bi2 129.41(16) 1_665 .
Bi2 Cl2 Bi2 101.2(3) 4_665 .
Cl3 Cl2 Rb5 42.3(3) 2_665 2_665
Cl3 Cl2 Rb5 161.9(6) 3_565 2_665
Rb1 Cl2 Rb5 77.90(19) 1_665 2_665
Bi2 Cl2 Rb5 97.65(10) 4_665 2_665
Bi2 Cl2 Rb5 97.65(10) . 2_665
Cl3 Cl2 Rb5 161.9(6) 2_665 1_665
Cl3 Cl2 Rb5 42.3(3) 3_565 1_665
Rb1 Cl2 Rb5 77.90(19) 1_665 1_665
Bi2 Cl2 Rb5 97.65(10) 4_665 1_665
Bi2 Cl2 Rb5 97.65(10) . 1_665
Rb5 Cl2 Rb5 155.8(4) 2_665 1_665
Cl3 Cl2 Rb5 24.8(3) 2_665 3
Cl3 Cl2 Rb5 144.4(6) 3_565 3
Rb1 Cl2 Rb5 95.41(17) 1_665 3
Bi2 Cl2 Rb5 86.57(12) 4_665 3
Bi2 Cl2 Rb5 86.57(12) . 3
Rb5 Cl2 Rb5 17.51(12) 2_665 3
Rb5 Cl2 Rb5 173.3(3) 1_665 3
Cl3 Cl2 Rb5 144.4(6) 2_665 3_565
Cl3 Cl2 Rb5 24.8(3) 3_565 3_565
Rb1 Cl2 Rb5 95.41(17) 1_665 3_565
Bi2 Cl2 Rb5 86.57(12) 4_665 3_565
Bi2 Cl2 Rb5 86.57(12) . 3_565
Rb5 Cl2 Rb5 173.3(3) 2_665 3_565
Rb5 Cl2 Rb5 17.51(12) 1_665 3_565
Rb5 Cl2 Rb5 169.2(3) 3 3_565
Cl2 Cl3 Cl2 120.5(9) 2_665 3_565
Cl2 Cl3 Rb5 104.4(4) 2_665 2_565
Cl2 Cl3 Rb5 135.2(5) 3_565 2_565
Cl2 Cl3 Rb5 135.2(5) 2_665 .
Cl2 Cl3 Rb5 104.4(4) 3_565 .
Rb5 Cl3 Rb5 30.8(3) 2_565 .
Cl2 Cl3 Bi2 71.7(3) 2_665 4_665
Cl2 Cl3 Bi2 71.7(3) 3_565 4_665
Rb5 Cl3 Bi2 127.61(14) 2_565 4_665
Rb5 Cl3 Bi2 127.61(14) . 4_665
Cl2 Cl3 Bi2 71.7(3) 2_665 .
Cl2 Cl3 Bi2 71.7(3) 3_565 .
Rb5 Cl3 Bi2 127.61(14) 2_565 .
Rb5 Cl3 Bi2 127.61(14) . .
Bi2 Cl3 Bi2 101.5(3) 4_665 .
Cl2 Cl3 Rb5 119.8(4) 2_665 3_455
Cl2 Cl3 Rb5 119.8(4) 3_565 3_455
Rb5 Cl3 Rb5 15.40(13) 2_565 3_455
Rb5 Cl3 Rb5 15.40(13) . 3_455
Bi2 Cl3 Rb5 129.27(17) 4_665 3_455
Bi2 Cl3 Rb5 129.27(17) . 3_455
Cl2 Cl3 Rb1 35.0(3) 2_665 1_565
Cl2 Cl3 Rb1 155.4(6) 3_565 1_565
Rb5 Cl3 Rb1 69.41(14) 2_565 1_565
Rb5 Cl3 Rb1 100.2(3) . 1_565
Bi2 Cl3 Rb1 93.29(9) 4_665 1_565
Bi2 Cl3 Rb1 93.29(9) . 1_565
Rb5 Cl3 Rb1 84.80(16) 3_455 1_565
Cl2 Cl3 Rb1 155.4(6) 2_665 .
Cl2 Cl3 Rb1 35.0(3) 3_565 .
Rb5 Cl3 Rb1 100.2(3) 2_565 .
Rb5 Cl3 Rb1 69.41(14) . .
Bi2 Cl3 Rb1 93.29(9) 4_665 .
Bi2 Cl3 Rb1 93.29(9) . .
Rb5 Cl3 Rb1 84.80(16) 3_455 .
Rb1 Cl3 Rb1 169.6(3) 1_565 .
Bi2 Cl5 Rb1 106.8(2) . .
Cl2 Rb1 Cl2 120.000(1) 3_565 1_445
Cl2 Rb1 Cl2 120.000(1) 3_565 2_655
Cl2 Rb1 Cl2 120.000(1) 1_445 2_655
Cl2 Rb1 Cl5 52.35(13) 3_565 .
Cl2 Rb1 Cl5 132.56(13) 1_445 .
Cl2 Rb1 Cl5 86.24(13) 2_655 .
Cl2 Rb1 Rb5 60.000(1) 3_565 3
Cl2 Rb1 Rb5 180.0 1_445 3
Cl2 Rb1 Rb5 60.0 2_655 3
Cl5 Rb1 Rb5 47.44(13) . 3
Cl2 Rb1 Rb5 180.0 3_565 2
Cl2 Rb1 Rb5 60.000(1) 1_445 2
Cl2 Rb1 Rb5 60.0 2_655 2
Cl5 Rb1 Rb5 127.65(12) . 2
Rb5 Rb1 Rb5 120.0 3 2
Cl2 Rb1 Rb5 60.000(1) 3_565 .
Cl2 Rb1 Rb5 60.0 1_445 .
Cl2 Rb1 Rb5 180.0 2_655 .
Cl5 Rb1 Rb5 93.76(13) . .
Rb5 Rb1 Rb5 120.0 3 .
Rb5 Rb1 Rb5 120.0 2 .
Cl2 Rb1 Cl3 95.20(17) 3_565 3
Cl2 Rb1 Cl3 144.80(17) 1_445 3
Cl2 Rb1 Cl3 24.80(17) 2_655 3
Cl5 Rb1 Cl3 68.21(17) . 3
Rb5 Rb1 Cl3 35.20(17) 3 3
Rb5 Rb1 Cl3 84.80(17) 2 3
Rb5 Rb1 Cl3 155.20(17) . 3
Cl2 Rb1 Cl3 144.80(17) 3_565 1_545
Cl2 Rb1 Cl3 95.20(17) 1_445 1_545
Cl2 Rb1 Cl3 24.80(17) 2_655 1_545
Cl5 Rb1 Cl3 104.61(17) . 1_545
Rb5 Rb1 Cl3 84.80(17) 3 1_545
Rb5 Rb1 Cl3 35.20(17) 2 1_545
Rb5 Rb1 Cl3 155.20(17) . 1_545
Cl3 Rb1 Cl3 49.6(3) 3 1_545
Cl2 Rb1 Cl3 24.80(17) 3_565 2_665
Cl2 Rb1 Cl3 144.80(17) 1_445 2_665
Cl2 Rb1 Cl3 95.20(17) 2_655 2_665
Cl5 Rb1 Cl3 42.76(13) . 2_665
Rb5 Rb1 Cl3 35.20(17) 3 2_665
Rb5 Rb1 Cl3 155.20(17) 2 2_665
Rb5 Rb1 Cl3 84.80(17) . 2_665
Cl3 Rb1 Cl3 70.4(3) 3 2_665
Cl3 Rb1 Cl3 120.0 1_545 2_665
Cl2 Rb1 Cl3 144.80(17) 3_565 2
Cl2 Rb1 Cl3 24.80(17) 1_445 2
Cl2 Rb1 Cl3 95.20(17) 2_655 2
Cl5 Rb1 Cl3 138.25(13) . 2
Rb5 Rb1 Cl3 155.20(17) 3 2
Rb5 Rb1 Cl3 35.20(17) 2 2
Rb5 Rb1 Cl3 84.80(17) . 2
Cl3 Rb1 Cl3 120.0 3 2
Cl3 Rb1 Cl3 70.4(3) 1_545 2
Cl3 Rb1 Cl3 169.6(3) 2_665 2
Cl2 Rb1 Cl3 24.80(16) 3_565 .
Cl2 Rb1 Cl3 95.20(16) 1_445 .
Cl2 Rb1 Cl3 144.80(17) 2_655 .
Cl5 Rb1 Cl3 67.99(17) . .
Rb5 Rb1 Cl3 84.80(17) 3 .
Rb5 Rb1 Cl3 155.20(17) 2 .
Rb5 Rb1 Cl3 35.20(17) . .
Cl3 Rb1 Cl3 120.0 3 .
Cl3 Rb1 Cl3 169.6(3) 1_545 .
Cl3 Rb1 Cl3 49.6(3) 2_665 .
Cl3 Rb1 Cl3 120.0 2 .
Cl1 Rb2 Cl1 119.12(3) 3_565 2_665
Cl1 Rb2 Cl1 119.12(3) 3_565 .
Cl1 Rb2 Cl1 119.12(3) 2_665 .
Cl1 Rb2 Cl1 65.06(15) 3_565 8_566
Cl1 Rb2 Cl1 89.78(13) 2_665 8_566
Cl1 Rb2 Cl1 130.32(10) . 8_566
Cl1 Rb2 Cl1 130.32(10) 3_565 7_666
Cl1 Rb2 Cl1 65.06(15) 2_665 7_666
Cl1 Rb2 Cl1 89.78(13) . 7_666
Cl1 Rb2 Cl1 65.51(12) 8_566 7_666
Cl1 Rb2 Cl1 89.78(13) 3_565 9_556
Cl1 Rb2 Cl1 130.32(10) 2_665 9_556
Cl1 Rb2 Cl1 65.06(15) . 9_556
Cl1 Rb2 Cl1 65.51(12) 8_566 9_556
Cl1 Rb2 Cl1 65.51(12) 7_666 9_556
Cl1 Rb2 Bi1 36.31(7) 3_565 1_565
Cl1 Rb2 Bi1 91.48(6) 2_665 1_565
Cl1 Rb2 Bi1 148.85(7) . 1_565
Cl1 Rb2 Bi1 36.31(7) 8_566 1_565
Cl1 Rb2 Bi1 98.94(10) 7_666 1_565
Cl1 Rb2 Bi1 91.42(10) 9_556 1_565
Cl1 Rb2 Bi1 148.85(7) 3_565 1_665
Cl1 Rb2 Bi1 36.31(7) 2_665 1_665
Cl1 Rb2 Bi1 91.48(6) . 1_665
Cl1 Rb2 Bi1 91.42(10) 8_566 1_665
Cl1 Rb2 Bi1 36.31(7) 7_666 1_665
Cl1 Rb2 Bi1 98.94(10) 9_556 1_665
Bi1 Rb2 Bi1 113.14(2) 1_565 1_665
Cl1 Rb2 Bi1 91.48(6) 3_565 .
Cl1 Rb2 Bi1 148.85(7) 2_665 .
Cl1 Rb2 Bi1 36.31(7) . .
Cl1 Rb2 Bi1 98.94(10) 8_566 .
Cl1 Rb2 Bi1 91.42(10) 7_666 .
Cl1 Rb2 Bi1 36.31(7) 9_556 .
Bi1 Rb2 Bi1 113.14(2) 1_565 .
Bi1 Rb2 Bi1 113.14(2) 1_665 .
Cl1 Rb2 Rb4 44.72(8) 3_565 2
Cl1 Rb2 Rb4 135.19(10) 2_665 2
Cl1 Rb2 Rb4 80.97(8) . 2
Cl1 Rb2 Rb4 107.22(10) 8_566 2
Cl1 Rb2 Rb4 159.66(10) 7_666 2
Cl1 Rb2 Rb4 94.15(10) 9_556 2
Bi1 Rb2 Rb4 80.74(4) 1_565 2
Bi1 Rb2 Rb4 160.49(6) 1_665 2
Bi1 Rb2 Rb4 70.43(4) . 2
Cl1 Rb2 Rb4 80.97(8) 3_565 1_565
Cl1 Rb2 Rb4 44.72(8) 2_665 1_565
Cl1 Rb2 Rb4 135.19(10) . 1_565
Cl1 Rb2 Rb4 94.15(9) 8_566 1_565
Cl1 Rb2 Rb4 107.22(10) 7_666 1_565
Cl1 Rb2 Rb4 159.66(10) 9_556 1_565
Bi1 Rb2 Rb4 70.43(4) 1_565 1_565
Bi1 Rb2 Rb4 80.74(4) 1_665 1_565
Bi1 Rb2 Rb4 160.49(6) . 1_565
Rb4 Rb2 Rb4 91.93(6) 2 1_565
Cl1 Rb2 Rb4 135.19(10) 3_565 3_665
Cl1 Rb2 Rb4 80.97(8) 2_665 3_665
Cl1 Rb2 Rb4 44.72(8) . 3_665
Cl1 Rb2 Rb4 159.66(10) 8_566 3_665
Cl1 Rb2 Rb4 94.15(9) 7_666 3_665
Cl1 Rb2 Rb4 107.22(10) 9_556 3_665
Bi1 Rb2 Rb4 160.49(6) 1_565 3_665
Bi1 Rb2 Rb4 70.43(4) 1_665 3_665
Bi1 Rb2 Rb4 80.74(4) . 3_665
Rb4 Rb2 Rb4 91.93(6) 2 3_665
Rb4 Rb2 Rb4 91.93(6) 1_565 3_665
Cl1 Rb3 Cl1 67.31(12) 2 3
Cl1 Rb3 Cl1 67.31(12) 2 .
Cl1 Rb3 Cl1 67.31(12) 3 .
Cl1 Rb3 Rb4 101.62(12) 2 3
Cl1 Rb3 Rb4 47.25(9) 3 3
Cl1 Rb3 Rb4 109.99(12) . 3
Cl1 Rb3 Rb4 47.25(9) 2 2
Cl1 Rb3 Rb4 109.99(12) 3 2
Cl1 Rb3 Rb4 101.62(12) . 2
Rb4 Rb3 Rb4 119.658(13) 3 2
Cl1 Rb3 Rb4 109.99(12) 2 .
Cl1 Rb3 Rb4 101.62(12) 3 .
Cl1 Rb3 Rb4 47.25(9) . .
Rb4 Rb3 Rb4 119.658(12) 3 .
Rb4 Rb3 Rb4 119.657(13) 2 .
Cl1 Rb3 Bi1 39.78(8) 2 .
Cl1 Rb3 Bi1 39.78(8) 3 .
Cl1 Rb3 Bi1 39.78(8) . .
Rb4 Rb3 Bi1 86.63(6) 3 .
Rb4 Rb3 Bi1 86.63(6) 2 .
Rb4 Rb3 Bi1 86.63(6) . .
Cl1 Rb3 Rb1 140.22(8) 2 .
Cl1 Rb3 Rb1 140.22(8) 3 .
Cl1 Rb3 Rb1 140.22(8) . .
Rb4 Rb3 Rb1 93.37(6) 3 .
Rb4 Rb3 Rb1 93.37(6) 2 .
Rb4 Rb3 Rb1 93.37(6) . .
Bi1 Rb3 Rb1 180.0 . .
Cl1 Rb3 Rb4 106.95(12) 2 3_665
Cl1 Rb3 Rb4 105.96(11) 3 3_665
Cl1 Rb3 Rb4 47.51(8) . 3_665
Rb4 Rb3 Rb4 126.11(8) 3 3_665
Rb4 Rb3 Rb4 113.32(8) 2 3_665
Rb4 Rb3 Rb4 6.46(8) . 3_665
Bi1 Rb3 Rb4 87.29(5) . 3_665
Rb1 Rb3 Rb4 92.71(5) . 3_665
Cl1 Rb3 Rb4 105.96(11) 2 2_545
Cl1 Rb3 Rb4 47.51(8) 3 2_545
Cl1 Rb3 Rb4 106.95(11) . 2_545
Rb4 Rb3 Rb4 6.46(8) 3 2_545
Rb4 Rb3 Rb4 126.11(8) 2 2_545
Rb4 Rb3 Rb4 113.32(8) . 2_545
Bi1 Rb3 Rb4 87.29(5) . 2_545
Rb1 Rb3 Rb4 92.71(5) . 2_545
Rb4 Rb3 Rb4 119.778(8) 3_665 2_545
Cl1 Rb3 Rb4 47.51(8) 2 1_455
Cl1 Rb3 Rb4 106.95(11) 3 1_455
Cl1 Rb3 Rb4 105.96(11) . 1_455
Rb4 Rb3 Rb4 113.32(8) 3 1_455
Rb4 Rb3 Rb4 6.46(8) 2 1_455
Rb4 Rb3 Rb4 126.11(8) . 1_455
Bi1 Rb3 Rb4 87.29(5) . 1_455
Rb1 Rb3 Rb4 92.71(5) . 1_455
Rb4 Rb3 Rb4 119.778(8) 3_665 1_455
Rb4 Rb3 Rb4 119.778(8) 2_545 1_455
Cl1 Rb3 Rb4 113.81(11) 2 2_655
Cl1 Rb3 Rb4 98.35(11) 3 2_655
Cl1 Rb3 Rb4 48.87(8) . 2_655
Rb4 Rb3 Rb4 113.54(8) 3 2_655
Rb4 Rb3 Rb4 125.90(8) 2 2_655
Rb4 Rb3 Rb4 6.24(8) . 2_655
Bi1 Rb3 Rb4 87.29(5) . 2_655
Rb1 Rb3 Rb4 92.71(5) . 2_655
Rb4 Rb3 Rb4 12.63(6) 3_665 2_655
Rb4 Rb3 Rb4 107.18(6) 2_545 2_655
Rb4 Rb3 Rb4 132.36(6) 1_455 2_655
Rb4 Rb4 Rb4 60.001(2) 3_665 2_655
Rb4 Rb4 Cl1 115.0(2) 3_665 .
Rb4 Rb4 Cl1 121.53(15) 2_655 .
Rb4 Rb4 Cl1 86.3(2) 3_665 2_655
Rb4 Rb4 Cl1 49.37(17) 2_655 2_655
Cl1 Rb4 Cl1 72.85(15) . 2_655
Rb4 Rb4 Cl1 44.12(13) 3_665 3_665
Rb4 Rb4 Cl1 76.8(2) 2_655 3_665
Cl1 Rb4 Cl1 71.51(15) . 3_665
Cl1 Rb4 Cl1 65.71(12) 2_655 3_665
Rb4 Rb4 Rb3 149.3(4) 3_665 .
Rb4 Rb4 Rb3 150.4(4) 2_655 .
Cl1 Rb4 Rb3 60.22(11) . .
Cl1 Rb4 Rb3 117.30(13) 2_655 .
Cl1 Rb4 Rb3 125.48(14) 3_665 .
Rb4 Rb4 Rb5 91.01(6) 3_665 3
Rb4 Rb4 Rb5 91.08(6) 2_655 3
Cl1 Rb4 Rb5 145.11(13) . 3
Cl1 Rb4 Rb5 134.89(11) 2_655 3
Cl1 Rb4 Rb5 133.65(12) 3_665 3
Rb3 Rb4 Rb5 85.44(9) . 3
Rb4 Rb4 Rb3 84.1(3) 3_665 1_655
Rb4 Rb4 Rb3 24.2(3) 2_655 1_655
Cl1 Rb4 Rb3 116.14(15) . 1_655
Cl1 Rb4 Rb3 46.86(9) 2_655 1_655
Cl1 Rb4 Rb3 96.25(12) 3_665 1_655
Rb3 Rb4 Rb3 126.11(8) . 1_655
Rb5 Rb4 Rb3 88.05(7) 3 1_655
Rb4 Rb4 Rb3 23.4(3) 3_665 1_665
Rb4 Rb4 Rb3 83.3(3) 2_655 1_665
Cl1 Rb4 Rb3 106.53(15) . 1_665
Cl1 Rb4 Rb3 104.81(13) 2_655 1_665
Cl1 Rb4 Rb3 46.66(9) 3_665 1_665
Rb3 Rb4 Rb3 125.90(8) . 1_665
Rb5 Rb4 Rb3 87.95(7) 3 1_665
Rb3 Rb4 Rb3 107.18(6) 1_655 1_665
Rb4 Rb4 Rb5 83.83(5) 3_665 1_655
Rb4 Rb4 Rb5 76.45(6) 2_655 1_655
Cl1 Rb4 Rb5 158.32(13) . 1_655
Cl1 Rb4 Rb5 121.40(12) 2_655 1_655
Cl1 Rb4 Rb5 127.95(12) 3_665 1_655
Rb3 Rb4 Rb5 98.12(8) . 1_655
Rb5 Rb4 Rb5 14.63(9) 3 1_655
Rb3 Rb4 Rb5 74.68(8) 1_655 1_655
Rb3 Rb4 Rb5 86.43(6) 1_665 1_655
Rb4 Rb4 Rb5 76.38(6) 3_665 2_665
Rb4 Rb4 Rb5 83.70(6) 2_655 2_665
Cl1 Rb4 Rb5 154.77(14) . 2_665
Cl1 Rb4 Rb5 131.93(11) 2_655 2_665
Cl1 Rb4 Rb5 119.34(12) 3_665 2_665
Rb3 Rb4 Rb5 98.10(8) . 2_665
Rb5 Rb4 Rb5 14.63(9) 3 2_665
Rb3 Rb4 Rb5 86.50(6) 1_655 2_665
Rb3 Rb4 Rb5 74.59(8) 1_665 2_665
Rb5 Rb4 Rb5 14.51(9) 1_655 2_665
Rb4 Rb4 Rb2 131.7(2) 3_665 1_545
Rb4 Rb4 Rb2 84.4(3) 2_655 1_545
Cl1 Rb4 Rb2 55.56(14) . 1_545
Cl1 Rb4 Rb2 45.52(11) 2_655 1_545
Cl1 Rb4 Rb2 100.00(10) 3_665 1_545
Rb3 Rb4 Rb2 73.31(6) . 1_545
Rb5 Rb4 Rb2 123.47(8) 3 1_545
Rb3 Rb4 Rb2 66.49(5) 1_655 1_545
Rb3 Rb4 Rb2 146.37(8) 1_665 1_545
Rb5 Rb4 Rb2 120.66(8) 1_655 1_545
Rb5 Rb4 Rb2 134.67(9) 2_665 1_545
Rb5 Rb5 Rb5 60.001(3) 3_455 2_565
Rb5 Rb5 Cl3 74.60(13) 3_455 3_455
Rb5 Rb5 Cl3 134.60(13) 2_565 3_455
Rb5 Rb5 Cl3 134.61(13) 3_455 .
Rb5 Rb5 Cl3 74.60(13) 2_565 .
Cl3 Rb5 Cl3 150.8(3) 3_455 .
Rb5 Rb5 Cl3 30.001(3) 3_455 2_565
Rb5 Rb5 Cl3 30.001(1) 2_565 2_565
Cl3 Rb5 Cl3 104.60(13) 3_455 2_565
Cl3 Rb5 Cl3 104.60(13) . 2_565
Rb5 Rb5 Cl2 107.9(2) 3_455 1_445
Rb5 Rb5 Cl2 167.9(2) 2_565 1_445
Cl3 Rb5 Cl2 33.3(2) 3_455 1_445
Cl3 Rb5 Cl2 117.5(3) . 1_445
Cl3 Rb5 Cl2 137.9(2) 2_565 1_445
Rb5 Rb5 Cl2 167.9(2) 3_455 3_565
Rb5 Rb5 Cl2 107.9(2) 2_565 3_565
Cl3 Rb5 Cl2 117.5(3) 3_455 3_565
Cl3 Rb5 Cl2 33.3(2) . 3_565
Cl3 Rb5 Cl2 137.9(2) 2_565 3_565
Cl2 Rb5 Cl2 84.2(4) 1_445 3_565
Rb5 Rb5 Rb1 149.999(3) 3_455 .
Rb5 Rb5 Rb1 149.999(3) 2_565 .
Cl3 Rb5 Rb1 75.40(13) 3_455 .
Cl3 Rb5 Rb1 75.40(13) . .
Cl3 Rb5 Rb1 180.0 2_565 .
Cl2 Rb5 Rb1 42.10(19) 1_445 .
Cl2 Rb5 Rb1 42.10(19) 3_565 .
Rb5 Rb5 Cl2 114.59(18) 3_455 2_665
Rb5 Rb5 Cl2 54.59(18) 2_565 2_665
Cl3 Rb5 Cl2 170.8(2) 3_455 2_665
Cl3 Rb5 Cl2 20.01(19) . 2_665
Cl3 Rb5 Cl2 84.59(17) 2_565 2_665
Cl2 Rb5 Cl2 137.51(12) 1_445 2_665
Cl2 Rb5 Cl2 53.3(4) 3_565 2_665
Rb1 Rb5 Cl2 95.41(17) . 2_665
Rb5 Rb5 Cl2 54.59(18) 3_455 2
Rb5 Rb5 Cl2 114.59(18) 2_565 2
Cl3 Rb5 Cl2 20.01(19) 3_455 2
Cl3 Rb5 Cl2 170.8(2) . 2
Cl3 Rb5 Cl2 84.59(18) 2_565 2
Cl2 Rb5 Cl2 53.3(4) 1_445 2
Cl2 Rb5 Cl2 137.51(12) 3_565 2
Rb1 Rb5 Cl2 95.41(17) . 2
Cl2 Rb5 Cl2 169.2(3) 2_665 2
Rb5 Rb5 Rb4 88.94(6) 3_455 6
Rb5 Rb5 Rb4 89.00(6) 2_565 6
Cl3 Rb5 Rb4 90.24(4) 3_455 6
Cl3 Rb5 Rb4 90.36(4) . 6
Cl3 Rb5 Rb4 88.81(6) 2_565 6
Cl2 Rb5 Rb4 90.85(5) 1_445 6
Cl2 Rb5 Rb4 90.93(5) 3_565 6
Rb1 Rb5 Rb4 91.19(6) . 6
Cl2 Rb5 Rb4 89.95(4) 2_665 6
Cl2 Rb5 Rb4 89.83(4) 2 6
Rb5 Rb5 Rb4 89.00(6) 3_455 2
Rb5 Rb5 Rb4 88.94(6) 2_565 2
Cl3 Rb5 Rb4 90.36(4) 3_455 2
Cl3 Rb5 Rb4 90.24(4) . 2
Cl3 Rb5 Rb4 88.81(6) 2_565 2
Cl2 Rb5 Rb4 90.93(5) 1_445 2
Cl2 Rb5 Rb4 90.85(5) 3_565 2
Rb1 Rb5 Rb4 91.19(6) . 2
Cl2 Rb5 Rb4 89.83(4) 2_665 2
Cl2 Rb5 Rb4 89.95(4) 2 2
Rb4 Rb5 Rb4 177.61(12) 6 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 Cl1 2.684(4) 9_556
Bi1 Cl1 2.684(4) 3
Bi1 Cl1 2.684(4) 8_556
Bi1 Cl1 2.684(4) 2
Bi1 Cl1 2.684(4) 7_556
Bi1 Cl1 2.684(4) .
Bi1 Rb3 4.180(3) .
Bi1 Rb3 4.180(3) 7_556
Bi1 Rb2 4.5269(7) 7_666
Bi1 Rb2 4.5269(7) 1_445
Bi1 Rb2 4.5269(7) 7_556
Bi1 Rb2 4.5270(7) .
Cl1 Rb4 2.904(6) .
Cl1 Rb3 3.433(5) .
Cl1 Rb4 3.469(5) 3_665
Cl1 Rb2 3.518(6) .
Cl1 Rb2 3.523(5) 7_666
Cl1 Rb4 3.555(6) 2_655
Bi2 Cl6 2.560(8) .
Bi2 Cl7 2.561(9) .
Bi2 Cl4 2.703(7) .
Bi2 Cl5 2.717(7) .
Bi2 Cl3 2.903(7) 2_665
Bi2 Cl3 2.903(7) .
Bi2 Cl3 2.903(7) 3_565
Bi2 Cl2 2.908(7) .
Bi2 Cl2 2.908(7) 2_665
Bi2 Cl2 2.908(7) 3_565
Cl2 Cl3 1.842(8) 2_665
Cl2 Cl3 1.842(8) 3_565
Cl2 Rb1 2.516(11) 1_665
Cl2 Rb5 3.250(4) 2_665
Cl2 Rb5 3.250(4) 1_665
Cl2 Rb5 3.7950(11) 3
Cl2 Rb5 3.7949(11) 3_565
Cl3 Rb5 2.260(11) 2_565
Cl3 Rb5 2.260(11) .
Cl3 Rb5 3.218(12) 3_455
Cl3 Rb1 3.7937(10) 1_565
Cl3 Rb1 3.7937(10) .
Cl5 Rb1 3.377(7) .
Rb1 Rb5 3.670(4) 3
Rb1 Rb5 3.670(4) 2
Rb1 Rb5 3.670(4) .
Rb2 Rb4 4.930(4) 2
Rb2 Rb4 4.930(4) 1_565
Rb2 Rb4 4.930(4) 3_665
Rb3 Rb4 3.773(3) 3
Rb3 Rb4 3.773(3) 2
Rb3 Rb4 3.773(3) .
Rb3 Rb4 4.691(3) 3_665
Rb3 Rb4 4.691(3) 2_545
Rb3 Rb4 4.691(3) 1_455
Rb3 Rb4 4.698(3) 2_655
Rb4 Rb4 1.033(5) 3_665
Rb4 Rb4 1.033(5) 2_655
Rb4 Rb5 4.618(3) 3
Rb4 Rb5 4.750(3) 1_655
Rb4 Rb5 4.751(3) 2_665
Rb5 Rb5 1.200(7) 3_455
Rb5 Rb5 1.200(7) 2_565
