Synthesis, crystal structure, and photocatalytic activity of the new three-layer aurivillius phases, Bi2ASrTi2TaO12 (A=Bi, La)
Wang, Dong; Tang, Kaibin; Liang, Zhenhua; Zheng, Huagui; Journal of Solid State Chemistry 183 (2010) 361–366; doi:10.1016/j.jssc.2009.11.018

data_1563734
_publ_section_title
;
 Synthesis, crystal structure, and photocatalytic activity of the new
 three-layer aurivillius phases, Bi2ASrTi2TaO12 (A=Bi, La)
;
_journal_issue                   2
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              361
_journal_page_last               366
_journal_paper_doi               10.1016/j.jssc.2009.11.018
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'Bi3 O12 Sr Ta Ti2'
_chemical_formula_weight         1183.30
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   3.86148(14)
_cell_length_b                   3.86148(14)
_cell_length_c                   33.1331(12)
_cell_measurement_temperature    298(2)
_cell_volume                     494.05(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_type           X-ray
_diffrn_source                   'rotating-anode X-ray tube'
_pd_char_colour                  white
_pd_char_particle_morphology     'flat powder'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017000
_pd_meas_2theta_range_max        119.99600
_pd_meas_2theta_range_min        5.00800
_pd_meas_number_of_points        6765
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.017000
_pd_proc_2theta_range_max        120.0044
_pd_proc_2theta_range_min        5.0164
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.4960
_pd_proc_ls_prof_wR_expected     1.9724
_pd_proc_ls_prof_wR_factor       4.6951
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              25
_pd_spec_size_equat              25
_pd_spec_size_thick              1
_refine_ls_number_parameters     26
_refine_ls_number_reflns         362
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.9181
_cod_data_source_file            JSSC-2010-183-361.cif
_cod_data_source_block           Bi3SrTi2TaO12
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Tetragonal' was changed to
'tetragonal' 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.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      'I 4/M M M'
_cod_database_code               1563734
_pd_proc_ls_prof_cr_factor       11.7909
_pd_proc_ls_prof_cwr_factor      10.6415
_pd_proc_ls_prof_cwr_expected    4.4704
_pd_proc_ls_prof_chi2            5.6664
_pd_proc_ls_prof_echi2           5.6664