#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532783.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_1532783
loop_
_publ_author_name
'Li Guobao'
'Liu Shixiang'
'Liao Fuhui'
'Uesu, Y.'
'Jing Xiping'
'Tian Shujian'
'Lin Jianhua'
'Kohn, K.'
'Di Nai-Li'
'Terauchi, M.'
'Saitoh, K.'
'Cheng Zhaohua'
_publ_section_title
;
 The structural and electric properties of the perovskite system (BaTi O3)
 - (Ba (Fe0.5 Ta0.5) O3)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1695
_journal_page_last               1703
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ba Fe0.5 O3 Ta0.5'
_chemical_name_systematic        'Ba ((Fe0.5 Ta0.5) O3)'
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.7414
_cell_length_b                   5.7414
_cell_length_c                   14.0634
_cell_volume                     401.473
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            LiGuobao_JSSCBI_2004_1708.cif
_cod_data_source_block           Ba1Fe0.5O3Ta0.5
_cod_original_cell_volume        401.4732
_cod_original_formula_sum        'Ba1 Fe0.5 O3 Ta0.5'
_cod_database_code               1532783
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,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
O2 O-2 0.1633 0.8367 0.1767 1 0.0
Fe6 Fe+3 0.6667 0.3333 0.4267 0.5 0.0
Ba2 Ba+2 0 0 0.4999 1 0.0
O1 O-2 0.1633 0.8367 0.6767 1 0.0
Ta6 Ta+5 0.6667 0.3333 0.4267 0.5 0.0
Ta1 Ta+5 0 0 0.7594 0.5 0.0
Fe4 Fe+3 0.3333 0.6667 0.093 0.5 0.0
Ta5 Ta+5 0.6667 0.3333 0.9265 0.5 0.0
Ba6 Ba+2 0.6667 0.3333 0.1663 1 0.0
O5 O-2 0.83 0.17 0.8434 1 0.0
O6 O-2 0.83 0.17 0.3434 1 0.0
O3 O-2 0.4967 0.5033 0.0101 1 0.0
Fe5 Fe+3 0.6667 0.3333 0.9265 0.5 0.0
Ba1 Ba+2 0 0 0 1 0.0
Ba3 Ba+2 0.3333 0.6667 0.8331 1 0.0
Ba4 Ba+2 0.3333 0.6667 0.3331 1 0.0
Ba5 Ba+2 0.6667 0.3333 0.6663 1 0.0
O4 O-2 0.4967 0.5033 0.5101 1 0.0
Fe2 Fe+3 0 0 0.2595 0.5 0.0
Ta2 Ta+5 0 0 0.2595 0.5 0.0
Ta3 Ta+5 0.3333 0.6667 0.5929 0.5 0.0
Ta4 Ta+5 0.3333 0.6667 0.093 0.5 0.0
Fe3 Fe+3 0.3333 0.6667 0.5929 0.5 0.0
Fe1 Fe+3 0 0 0.7594 0.5 0.0
