New lead-free perovskite Rb<sub>7</sub>Bi<sub>3</sub>Cl<sub>16</sub> nanocrystals with blue luminescence and excellent moisture-stability.
Xie, Jie-Ling; Huang, Zhao-Qian; Wang, Bin; Chen, Wei-Jun; Lu, Wen-Xiu; Liu, Xin; Song, Jun-Ling; Nanoscale 11 (2019) 6719–6726; doi:10.1039/c9nr00600a

data_1550737
_publ_section_title
;
 New lead-free perovskite Rb<sub>7</sub>Bi<sub>3</sub>Cl<sub>16</sub>
 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+0.001xFc^2^\l^3^/sin(2\q)]^-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/[\s^2^(Fo^2^)+(0.0476P)^2^+27.0489P] where P=(Fo^2^+2Fc^2^)/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 > 2\s(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_estimated_absorpt_t_min   0.0027
_shelx_estimated_absorpt_t_max   0.0195
_shelx_res_checksum              47120