#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/26/9012692.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012692
loop_
_publ_author_name
'Greaves, C.'
_publ_section_title
;
 A powder neutron diffraction investigation of vacancy ordering and covalence in
 gamma-Fe2O3
 Locality: synthetic
 Sample: T = 4 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              325
_journal_page_last               333
_journal_volume                  49
_journal_year                    1983
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Maghemite
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3396
_cell_length_b                   8.3396
_cell_length_c                   8.3220
_cell_volume                     578.786
_diffrn_ambient_temperature      4
_exptl_crystal_density_diffrn    4.887
_cod_database_code               9012692
_amcsd_database_code             AMCSD#0013556
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,-z
1/2-y,1/2+x,3/4+z
1/2-x,1/2+y,3/4-z
-x,-y,1/2+z
-y,-x,1/2-z
1/2+y,1/2-x,1/4+z
1/2+x,1/2-y,1/4-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1 0.74400 0.99600 0.12000 1.00000 0.00127
Fe2 0.62000 0.62000 0.00000 1.00000 0.00127
Fe3 0.36400 0.86700 -0.01600 1.00000 0.00127
Fe4 0.14000 0.14000 0.00000 0.33300 0.00127
O1 0.61500 0.86900 -0.01400 1.00000 0.00127
O2 0.11900 0.37700 -0.00500 1.00000 0.00127
O3 0.13700 0.86100 0.00700 1.00000 0.00127
O4 0.38300 0.63100 -0.00300 1.00000 0.00127