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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532779.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_1532779
loop_
_publ_author_name
'Li Guobao'
'Lin Jianhua'
'Liao Fuhui'
'Tian Shujian'
'Liu Shixiang'
'Kohn, K.'
'Jing Xiping'
'Uesu, Y.'
'Cheng Zhaohua'
'Saitoh, K.'
'Terauchi, M.'
'Di Nai-Li'
_publ_section_title
;
 The structural and electric properties of the perovskite system (Ba Ti
 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           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.7414
_cell_length_b                   5.7414
_cell_length_c                   7.0317
_cell_volume                     200.737
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            LiGuobao_JSSCBI_2004_1707.cif
_cod_data_source_block           Ba1Fe0.5O3Ta0.5
_cod_original_cell_volume        200.7366
_cod_original_formula_sum        'Ba1 Fe0.5 O3 Ta0.5'
_cod_database_code               1532779
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
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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 0.34 0.17 0.6876 1 0.0
Ta1 Ta+5 0 0 0.5208 0.5 0.0
Ba1 Ba+2 0 0 0 1 0.0
Fe1 Fe+3 0 0 0.5208 0.5 0.0
