#------------------------------------------------------------------------------
#$Date: 2025-10-31 17:24:25 +0100 (Fri, 31 Oct 2025) $
#$Revision: 303120 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/07/1540757.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_1540757
loop_
_publ_author_name
'Zeng, L.'
'Jiang, Y.'
_publ_section_title
;
 X-ray diffraction study of orthorhombic barium titanate
;
_journal_name_full               'Beijing Gongye Daxue Xuebao'
_journal_page_first              32
_journal_page_last               37
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Ba O3 Ti'
_chemical_name_common            'Barium titanate'
_chemical_name_systematic        'Ba (Ti O3)'
_space_group_IT_number           25
_symmetry_space_group_name_Hall  'P -2 2'
_symmetry_space_group_name_H-M   'P 2 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.98
_cell_length_b                   4.01
_cell_length_c                   4.02
_cell_volume                     64.158
_citation_journal_id_ASTM        BGDXD6
_cod_data_source_file            Zeng_BGDXD6_1991_1567.cif
_cod_data_source_block           Ba1O3Ti1
_cod_depositor_comments
;
 Added the '_chemical_name_common' data item.

 Antanas Vaitkus,
 2021-08-04
;
_cod_original_cell_volume        64.1584
_cod_original_sg_symbol_Hall     'P 2 -2 (z,x,y)'
_cod_original_formula_sum        'Ba1 O3 Ti1'
_cod_database_code               1540757
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,-y,z
x,y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.479 0.5 0 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O2 O-2 0.487 0 0.487 0.5 0.0
O3 O-2 0 0.5 0.476 0.5 0.0
Ti1 Ti+4 0.509 0.5 0.509 0.5 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ROD 3500039
2 ROD 3500110
3 ROD 3500161
4 ROD 3500224
