Synthesis and crystal structure of Sr<sub>3</sub>Bi<sub>2</sub>O<sub>6</sub> and structural change in the strontium-bismuth-oxide system.
Yang, Yanquan; Li, Jian; Yuan, Youyou; Pan, Fengjuan; Shi, Dier; Lin, Cong; Du, Xin; Sun, Junliang; Dalton transactions (Cambridge, England : 2003) 47 (2018) 1888–1894; doi:10.1039/c7dt04610c

data_7045182
_publ_section_title
;
 Synthesis and crystal structure of
 Sr<sub>3</sub>Bi<sub>2</sub>O<sub>6</sub> and structural change in the
 strontium-bismuth-oxide system.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1888
_journal_page_last               1894
_journal_paper_doi               10.1039/c7dt04610c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'Bi5.33 O16 Sr8'
_chemical_formula_weight         2071.52
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-14 deposited with the CCDC.
2017-12-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   25.1146(19)
_cell_length_b                   25.1146(19)
_cell_length_c                   18.3685(16)
_cell_measurement_reflns_used    841
_cell_measurement_temperature    180.0(10)
_cell_measurement_theta_max      30.0100
_cell_measurement_theta_min      4.4140
_cell_volume                     10033.6(14)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      180.0(10)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_unetI/netI     0.0957
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            12703
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.057
_diffrn_reflns_theta_min         3.702
_exptl_absorpt_coefficient_mu    60.945
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.171
_exptl_crystal_description       'yellow stone'
_exptl_crystal_F_000             15744
_refine_diff_density_max         8.270
_refine_diff_density_min         -4.081
_refine_diff_density_rms         0.751
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         5516
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0350P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1262
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3922
_reflns_number_total             5516
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04610c1.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7045182.cif.'
_cod_original_cell_volume        10033.6(18)
_cod_database_code               7045182
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              11899