#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017519.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_9017519
loop_
_publ_author_name
'Shin HS'
_publ_section_title
;
 A study on the structure of maghemite (gamma-Fe2O3)
 I. Rietveld analysis of powder XRD patterns
;
_journal_name_full               'Journal of the Korean Ceramic Society'
_journal_page_first              1113
_journal_page_last               1119
_journal_volume                  35
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2.645 O3.99'
_chemical_name_mineral           Maghemite
_space_group_IT_number           212
_space_group_name_Hall           'P 4acd 2ab 3'
_space_group_name_H-M_alt        'P 43 3 2'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3457
_cell_length_b                   8.3457
_cell_length_c                   8.3457
_cell_formula_units_Z            8
_cell_volume                     581.284
_database_code_amcsd             0020518
_exptl_crystal_density_diffrn    4.835
_cod_data_source_file            inputs/fixed/downloads/17/17610.cif
_cod_data_source_block           17610
_cod_database_code               9017519
loop_
_space_group_symop_operation_xyz
x,y,z
-z,1/2+x,1/2-y
-y,1/2+z,1/2-x
-x,1/2+y,1/2-z
3/4-x,1/4+z,3/4+y
3/4-z,1/4+y,3/4+x
3/4-y,1/4+x,3/4+z
1/4-x,1/4-z,1/4-y
1/4-z,1/4-y,1/4-x
1/4-y,1/4-x,1/4-z
1/2-z,-x,1/2+y
1/2-y,-z,1/2+x
1/2-x,-y,1/2+z
1/2+z,1/2-x,-y
1/2+y,1/2-z,-x
1/2+x,1/2-y,-z
3/4+x,3/4-z,1/4+y
3/4+z,3/4-y,1/4+x
3/4+y,3/4-x,1/4+z
1/4+x,3/4+z,3/4-y
1/4+z,3/4+y,3/4-x
1/4+y,3/4+x,3/4-z
z,x,y
y,z,x
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 0.62500 0.62500 0.62500 0.35000 0.00633
Fe2 -0.00440 -0.00440 -0.00440 1.00000 0.00899
Fe3 0.12500 0.36690 -0.11690 0.98000 0.00899
O1 0.38170 0.38170 0.38170 0.99000 0.00887
O2 0.38170 0.87360 0.88190 1.00000 0.01013
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020518
