LMucko/crystallography-open-database huggingface dataset:
Crystal structure, morphotropic phase transition and luminescence in the new cyclosilicates Sr3R2(Si3O9)2, R=Y, Eu‒Lu
Tyutyunnik, Alexander P.; Leonidov, Ivan I.; Surat, Ludmila L.; Berger, Ivan F.; Zubkov, Vladimir G.; Journal of Solid State Chemistry 197 (2013) 447–455; doi:10.1016/j.jssc.2012.09.009

data_1562798
_publ_section_title
;
 Crystal structure, morphotropic phase transition and luminescence in the
 new cyclosilicates Sr3R2(Si3O9)2, R=Y, Eu--Lu
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              447
_journal_page_last               455
_journal_paper_doi               10.1016/j.jssc.2012.09.009
_journal_volume                  197
_journal_year                    2013
_chemical_formula_structural     'Sr3 Y2 (Si3 O9)2'
_chemical_formula_sum            'O18 Si6 Sr3 Y2'
_chemical_formula_weight         897.22
_chemical_name_common            'Strontium Yttrium Silicate'
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.1548(8)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.52516(15)
_cell_length_b                   7.97702(9)
_cell_length_c                   14.83836(17)
_cell_measurement_temperature    298(2)
_cell_volume                     1600.91(3)
_computing_structure_refinement  GSAS
_computing_structure_solution
'GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)'
_exptl_crystal_density_diffrn    3.723
_exptl_crystal_density_method    'not measured'
_pd_proc_ls_prof_R_factor        0.0267
_pd_proc_ls_prof_wR_factor       0.0396
_refine_ls_goodness_of_fit_all   1.94
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            JSSC-2013-197-447.cif
_cod_data_source_block           SR3Y2SI6O18_overall
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (128 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (146 times).

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_database_code               1562798
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562799
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Bi0.67 La0.67 O4 Ti'
_chemical_formula_weight         343.82
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            12
_cell_length_a                   5.41820(29)
_cell_length_b                   5.41048(30)
_cell_length_c                   32.9798(6)
_cell_measurement_temperature    298
_cell_volume                     966.80(8)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_source         'x ray'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_pd_meas_scan_method             cont
_pd_phase_name                   Bi2La2Ti3O12
_pd_proc_ls_prof_R_factor        0.0134
_pd_proc_ls_prof_wR_factor       0.0195
_pd_spec_mounting                'packed powder pellet'
_refine_ls_goodness_of_fit_all   3.94
_refine_ls_matrix_type           full
_refine_ls_number_parameters     78
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            BI2LA2TI3O12.cif
_cod_data_source_block           BI2LA2TI3O12
_cod_original_cell_volume        966.805(77)
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562799
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562800
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Bi0.67 La0.33 Nd0.33 O4 Ti'
_chemical_formula_weight         345.60
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            12
_cell_length_a                   5.40644(30)
_cell_length_b                   5.39783(31)
_cell_length_c                   32.8972(7)
_cell_measurement_temperature    298
_cell_volume                     960.04(8)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_source         'x ray'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_pd_meas_scan_method             cont
_pd_phase_name                   Bi2LaNdTi3O12
_pd_proc_ls_prof_R_factor        0.0137
_pd_proc_ls_prof_wR_factor       0.0195
_pd_spec_mounting                'packed powder pellet'
_refine_ls_goodness_of_fit_all   3.77
_refine_ls_matrix_type           full
_refine_ls_number_parameters     77
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            BI2LANDTI3O12.cif
_cod_data_source_block           BI2LANDTI3O12
_cod_original_cell_volume        960.041(79)
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562800
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562801
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Bi0.67 La0.33 O4 Pr0.33 Ti'
_chemical_formula_weight         344.49
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            12
_cell_length_a                   5.4077(4)
_cell_length_b                   5.4011(4)
_cell_length_c                   32.9211(7)
_cell_measurement_temperature    298
_cell_volume                     961.54(10)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_source         'x ray'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_pd_meas_scan_method             cont
_pd_phase_name                   Bi2LaPrTi3O12
_pd_proc_ls_prof_R_factor        0.0146
_pd_proc_ls_prof_wR_factor       0.0203
_pd_spec_mounting                'packed powder pellet'
_refine_ls_goodness_of_fit_all   4.05
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            BI2LAPRTI3O12.cif
_cod_data_source_block           BI2LAPRTI3O12
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562801
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562802
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Bi0.67 Nd0.67 O4 Ti'
_chemical_formula_weight         347.38
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            12
_cell_length_a                   5.38744(33)
_cell_length_b                   5.38468(35)
_cell_length_c                   32.8051(7)
_cell_measurement_temperature    298
_cell_volume                     951.66(9)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_source         'x ray'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_pd_meas_scan_method             cont
_pd_phase_name                   Bi2Nd2Ti3O12
_pd_proc_ls_prof_R_factor        0.0129
_pd_proc_ls_prof_wR_factor       0.0183
_pd_spec_mounting                'packed powder pellet'
_refine_ls_goodness_of_fit_all   3.36
_refine_ls_matrix_type           full
_refine_ls_number_parameters     77
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            BI2ND2TI3O12.cif
_cod_data_source_block           BI2ND2TI3O12
_cod_original_cell_volume        951.664(87)
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562802
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562803
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Bi0.67 O4 Pr0.67 Ti'
_chemical_formula_weight         345.16
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            12
_cell_length_a                   5.39475(33)
_cell_length_b                   5.3931(4)
_cell_length_c                   32.8580(6)
_cell_measurement_temperature    298
_cell_volume                     955.98(9)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_source         'x ray'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_pd_block_id
2012-02-27T13:41|BI2PR2TI3O12_SHI_8_phase1|shi||
_pd_char_colour                  white
_pd_meas_scan_method             cont
_pd_phase_name
'from C:/gsas/Eric La-Ti3O12 series/Revisit by Shi/BI2PR2TI3O12_1_N'
_pd_proc_2theta_range_inc        0.03
_pd_proc_2theta_range_max        160
_pd_proc_2theta_range_min        5
_pd_spec_mounting                'packed powder pellet'
_refine_ls_goodness_of_fit_all   2.15
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            BI2PR2TI3O12.cif
_cod_data_source_block           BI2PR2TI3O12
_cod_original_cell_volume        955.985(93)
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562803
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562804
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Bi0.67 Nd0.33 O4 Pr0.33 Ti'
_chemical_formula_weight         346.27
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            12
_cell_length_a                   5.39240(35)
_cell_length_b                   5.3884(4)
_cell_length_c                   32.8298(8)
_cell_measurement_temperature    298
_cell_volume                     953.92(10)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_source         'x ray'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_pd_meas_scan_method             cont
_pd_phase_name                   Bi2PrNdTi3O12
_pd_proc_ls_prof_R_factor        0.0131
_pd_proc_ls_prof_wR_factor       0.0183
_pd_spec_mounting                'packed powder pellet'
_refine_ls_goodness_of_fit_all   4.72
_refine_ls_matrix_type           full
_refine_ls_number_parameters     74
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            BI2PRNDTI3O12.cif
_cod_data_source_block           BI2PRNDTI3O12
_cod_original_cell_volume        953.912(97)
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562804
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562805
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Bi0.17 Nb0.17 O Sr0.17 Ti0.08'
_chemical_formula_weight         84.91
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            48
_cell_length_a                   5.50595(21)
_cell_length_b                   5.50916(22)
_cell_length_c                   33.20309(32)
_cell_measurement_temperature    298
_cell_volume                     1007.15(6)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_source         'x ray'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_pd_meas_scan_method             cont
_pd_phase_name                   Bi2Sr2Nb2TiO12
_pd_proc_2theta_range_inc        0.03
_pd_proc_2theta_range_max        160
_pd_proc_2theta_range_min        5
_pd_proc_ls_prof_R_factor        0.0490
_pd_proc_ls_prof_wR_factor       0.0742
_refine_ls_goodness_of_fit_all   1.83
_refine_ls_matrix_type           full
_refine_ls_number_parameters     71
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            BI2SR2NB2TIO12.cif
_cod_data_source_block           BI2SR2NB2TIO12
_cod_original_cell_volume        1007.155(56)
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562805
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562806
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Ba0.04 Bi0.17 Nb0.17 O Sr0.13 Ti0.08'
_chemical_formula_weight         87.03
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            48
_cell_length_a                   5.52168(11)
_cell_length_b                   5.52725(12)
_cell_length_c                   33.48115(33)
_cell_measurement_temperature    298
_cell_volume                     1021.83(3)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_source         'x ray'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5405
_pd_meas_scan_method             cont
_pd_phase_name                   S15B
_pd_proc_2theta_range_inc        0.03
_pd_proc_2theta_range_max        160
_pd_proc_2theta_range_min        5
_pd_spec_mounting                'packed powder pellet'
_refine_ls_goodness_of_fit_all   1.86
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            BI2SR15BA05NB2TIO12.cif
_cod_data_source_block           BI2SR15BA05NB2TIO12
_cod_original_cell_volume        1021.834(32)
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562806
Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides
Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.; Journal of Solid State Chemistry 197 (2013) 475–482; doi:10.1016/j.jssc.2012.09.025

data_1562807
_publ_section_title
;
 Controlling structure distortions in 3-layer ferroelectric Aurivillius
 oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              475
_journal_page_last               482
_journal_paper_doi               10.1016/j.jssc.2012.09.025
_journal_volume                  197
_journal_year                    2013
_chemical_formula_sum            'Ba0.04 Bi0.17 O Sr0.12 Ta0.17 Ti0.08'
_chemical_formula_weight         101.65
_space_group_IT_number           41
_space_group_name_Hall           'B -2ab 2'
_space_group_name_H-M_alt        'B 2 e b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'B 2 e b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            48
_cell_length_a                   5.5251(5)
_cell_length_b                   5.5252(5)
_cell_length_c                   33.44076(30)
_cell_measurement_temperature    298
_cell_volume                     1020.86(13)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens D500'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_pd_meas_scan_method             cont
_pd_phase_name                   Bi2Sr1.5Ba0.5Ta2TiO12
_pd_proc_ls_prof_R_factor        0.0250
_pd_proc_ls_prof_wR_factor       0.0339
_refine_ls_goodness_of_fit_all   1.55
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            Bi2Sr15BaTa2TiO12.cif
_cod_data_source_block           Bi2Sr1.5Ba0.5Ta2TiO12
_cod_original_sg_symbol_H-M      'B 2 c b'
_cod_database_code               1562807