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#$Date: 2015-07-13 22:50:42 +0300 (Mon, 13 Jul 2015) $
#$Revision: 151110 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/86/1528624.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_1528624
loop_
_publ_author_name
'Karen, P.'
'Gustafsson, K.'
'Linden, J.'
_publ_section_title
;
 Eu Ba Fe2 O(5+w): Valence mixing and charge ordering are two separate
 cooperative phenomena
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              148
_journal_page_last               157
_journal_volume                  180
_journal_year                    2007
_chemical_formula_sum            'Ba Eu Fe2 O5.415'
_chemical_name_systematic        'Eu Ba Fe2 O5.415'
_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            1
_cell_length_a                   3.93032
_cell_length_b                   3.93032
_cell_length_c                   7.71201
_cell_volume                     119.131
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Karen_JSSCBI_2007_1227.cif
_cod_data_source_block           Ba1Eu1Fe2O5.415
_cod_original_cell_volume        119.1306
_cod_chemical_formula_sum_orig   'Ba1 Eu1 Fe2 O5.415'
_cod_database_code               1528624
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
Eu1 Eu+3 0 0 0.5 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
Fe1 Fe+2 0.5 0.5 0.2567 1 0.0
O1 O-2 0.5 0.5 0 1 0.0
O3 O-2 0.5 0.5 0.5 0.415 0.0
O2 O-2 0.5 0 0.2952 1 0.0