#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100862.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2100862
loop_
_publ_author_name
'Buttner, R. H.'
'Maslen, E. N.'
_publ_section_title
;
 Structural parameters and electron difference density in BaTiO~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              764
_journal_page_last               769
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba O3 Ti'
_[local]_cod_chemical_formula_sum_orig 'Ba1 O3 Ti1'
_chemical_formula_weight         233.24
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m-3m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.9998(8)
_cell_length_b                   3.9998(8)
_cell_length_c                   4.0180(8)
_cell_volume                     64.281
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    18.60
_exptl_crystal_density_diffrn    6.024
_exptl_crystal_F_000             102
_[local]_cod_data_source_file    as0598.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba 0.5 0.5 0.5
Ti 0.0 0.0 0.0
O 0.5 0.0 0.0