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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/1/52/59/1525921.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_1525921
loop_
_publ_author_name
'Marquart, R.'
'Kennedy, B.J.'
'Shimakawa, Y.'
_publ_section_title
;
 Cation disorder in the ferroelectric oxides A Bi2 Ta2 O9, A = Ca, Sr, Ba
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              174
_journal_page_last               177
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'Ba Bi2 O9 Ta2'
_chemical_name_systematic        'Ba (Bi2 Ta2 O9)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9355
_cell_length_b                   3.9355
_cell_length_c                   25.5686
_cell_volume                     396.011
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Marquart_JSSCBI_2001_1609.cif
_cod_data_source_block           Ba1Bi2O9Ta2
_cod_original_cell_volume        396.0106
_cod_original_formula_sum        'Ba1 Bi2 O9 Ta2'
_cod_database_code               1525921
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
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
Ba2 Ba+2 0 0 0.20171 0.22 0.0
O1 O-2 0 0 0.5 1 0.0
O2 O-2 0 0 0.3424 1 0.0
O4 O-2 0 0.5 0.417 1 0.0
Bi1 Bi+3 0 0 0 0.439 0.0
O3 O-2 0 0.5 0.25 1 0.0
Ta1 Ta+5 0 0 0.41193 1 0.0
Ba1 Ba+2 0 0 0 0.561 0.0
Bi2 Bi+3 0 0 0.20171 0.78 0.0
