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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/08/1520891.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_1520891
loop_
_publ_author_name
'Boullay, P.'
'Grebille, D.'
'Hervieu, M.'
'Suard, E.'
'Raveau, B.'
_publ_section_title
;
 Incommensurate nuclear and magnetic structure of the oxygen-deficient
 perovskites (Ba2-3x Bi3x-1) (Fe2x Bi1-2x) O2+3x/2 (0.43<x<0.50)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              450
_journal_page_last               463
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Ba0.5 Bi0.5 Fe O2.75'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.9802
_cell_length_b                   3.9802
_cell_length_c                   16.376
_cell_volume                     259.428
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Boullay_JSSCBI_1999_333.cif
_cod_data_source_block           Ba0.5Bi0.5Fe1O2.75
_cod_original_cell_volume        259.4285
_cod_original_formula_sum        'Ba0.5 Bi0.5 Fe1 O2.75'
_cod_database_code               1520891
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
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
O4 O-2 0 0 0.127 1 0.0
Ba1 Ba+2 0.5 0.5 0.116 0.75 0.0
Ba2 Ba+2 0.5 0.5 0.356 0.25 0.0
O5 O-2 0.081 0 0.384 0.1875 0.0
Bi2 Bi+3 0.5 0.5 0.356 0.75 0.0
O1 O-2 0.5 0 0 1 0.0
O3 O-2 0.5 -0.086 0.5 0.375 0.0
O2 O-2 0.5 0 0.2621 1 0.0
Fe1 Fe+3 0 0 0 1 0.0
Bi1 Bi+3 0.5 0.5 0.116 0.25 0.0
Fe3 Fe+3 0 0 0.5 1 0.0
Fe2 Fe+3 0 0 0.2441 1 0.0
