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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/54/1525437.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_1525437
loop_
_publ_author_name
'Waesche, R.'
'Denner, W.'
'Schulz, H.'
_publ_section_title
;
 Influence of high hydrostatic pressure on the crystal structure of barium
 titanate ( Ba Ti O3 )
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              497
_journal_page_last               500
_journal_volume                  16
_journal_year                    1981
_chemical_formula_sum            'Ba O3 Ti'
_chemical_name_systematic        'Ba (Ti O3)'
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9915
_cell_length_b                   3.9915
_cell_length_c                   4.025
_cell_volume                     64.127
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Waesche_MRBUAC_1981_490.cif
_cod_data_source_block           Ba1O3Ti1
_cod_original_cell_volume        64.12659
_cod_original_formula_sum        'Ba1 O3 Ti1'
_cod_database_code               1525437
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
Ti1 Ti+4 0.5 0.5 0.51 1 0.0
O2 O-2 0.5 0 0.479 1 0.0
O1 O-2 0.5 0.5 -0.022 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
