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#$Date: 2015-07-13 22:47:51 +0300 (Mon, 13 Jul 2015) $
#$Revision: 151088 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/86/1528612.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_1528612
loop_
_publ_author_name
'Jorgensen, J.E.'
'Mosegaard, L.'
'Hanson, J.C.'
'Jensen, T.R.'
'Thomsen, L.E.'
_publ_section_title
;
 Formation of gamma-Fe2 O3 nanoparticles and vacancy ordering: an in situ
 x-ray powder diffraction study
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              180
_journal_page_last               185
_journal_volume                  180
_journal_year                    2007
_chemical_formula_sum            'Fe2 O3'
_chemical_name_systematic        'Fe2 O3'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   8.332
_cell_length_b                   8.332
_cell_length_c                   25.113
_cell_volume                     1743.400
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Jorgensen_JSSCBI_2007_1235.cif
_cod_data_source_block           Fe2O3
_cod_original_cell_volume        1743.4
_cod_database_code               1528612
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-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
O9 O-2 0.133 0.853 0.67 1 0.0
Fe3 Fe+3 0.751 0.997 0.7084 1 0.0
O11 O-2 0.385 0.626 0.339 1 0.0
O2 O-2 0.612 0.881 0.333 1 0.0
O3 O-2 0.612 0.881 0.667 1 0.0
Fe1 Fe+3 0.751 0.997 0.0417 1 0.0
O1 O-2 0.612 0.881 0 1 0.0
Fe2 Fe+3 0.751 0.997 0.375 1 0.0
O12 O-2 0.385 0.626 0.673 1 0.0
O4 O-2 0.11 0.317 0.003 1 0.0
Fe5 Fe+3 0.621 0.621 0.3333 1 0.0
O7 O-2 0.133 0.853 0 1 0.0
O6 O-2 0.11 0.317 0.67 1 0.0
Fe9 Fe+3 0.128 0.128 0 1 0.0
Fe4 Fe+3 0.621 0.621 0 1 0.0
O5 O-2 0.11 0.317 0.336 1 0.0
Fe8 Fe+3 0.369 0.869 0.6647 1 0.0
Fe7 Fe+3 0.369 0.869 0.3313 1 0.0
O10 O-2 0.385 0.626 0.006 1 0.0
O8 O-2 0.133 0.853 0.333 1 0.0
Fe6 Fe+3 0.369 0.869 0.998 1 0.0