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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/57/9015715.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015715
loop_
_publ_author_name
'Xiao, C. J.'
'Jin, C. Q.'
'Wang, X. H.'
_publ_section_title
;
 Crystal structure of dense nanocrystalline BaTiO3 ceramics
 Note: phase O (orthorhombic)
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              209
_journal_page_last               212
_journal_volume                  111
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba O3 Ti'
_chemical_name_mineral           Barioperovskite
_space_group_IT_number           38
_symmetry_space_group_name_Hall  'A 2 -2'
_symmetry_space_group_name_H-M   'A m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0094
_cell_length_b                   5.6214
_cell_length_c                   5.6386
_cell_volume                     127.085
_database_code_amcsd             0018580
_exptl_crystal_density_diffrn    6.094
_[local]_cod_chemical_formula_sum_orig 'Ba Ti O3'
_cod_database_code               9015715
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
x,-y,z
x,1/2-y,1/2+z
-x,y,z
-x,1/2+y,1/2+z
-x,-y,z
-x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba 0.00000 0.00000 0.00000 0.17600
Ti 0.50000 0.00000 0.51000 0.01600
O1 0.00000 0.50000 0.49000 0.04500
O2 0.50000 0.75250 0.73960 0.02800