#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017520.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_9017520
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            'Fe1.966 O2.962'
_chemical_name_mineral           Maghemite
_space_group_IT_number           96
_space_group_name_Hall           'P 4nw 2abw'
_space_group_name_H-M_alt        'P 43 21 2'
_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                   8.346
_cell_length_b                   8.346
_cell_length_c                   25.034
_cell_formula_units_Z            32
_cell_volume                     1743.761
_database_code_amcsd             0020519
_exptl_crystal_density_diffrn    4.791
_cod_data_source_file            inputs/fixed/downloads/17/17611.cif
_cod_data_source_block           17611
_cod_database_code               9017520
loop_
_space_group_symop_operation_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 0.12110 0.12110 0.00000 1.00000 0.00722
Fe2 0.61770 0.61770 0.00000 0.97000 0.01013
Fe3 0.99030 0.74480 0.04010 0.98000 0.00760
Fe4 0.49860 0.24220 0.04270 0.98000 0.00849
Fe5 0.75270 0.49390 0.12420 0.99000 0.01026
Fe6 0.36740 0.86150 0.00280 0.99000 0.00760
Fe7 0.12880 0.38180 0.08230 0.98000 0.01026
Fe8 0.87770 0.11030 0.08570 0.99000 0.01013
Fe9 0.62160 0.86110 0.08600 0.97000 0.01026
O1 0.11140 0.38140 -0.00240 0.99000 0.00747
O2 0.85740 0.12760 -0.00040 0.98000 0.00735
O3 0.62940 0.35740 0.00050 1.00000 0.00747
O4 0.60440 0.85770 0.00430 0.96000 0.00760
O5 0.36460 0.87160 0.07900 1.00000 0.00747
O6 0.61790 0.62910 0.08010 0.99000 0.00760
O7 0.87240 0.87090 0.08320 0.99000 0.00735
O8 0.35100 0.39810 0.08330 1.00000 0.00760
O9 0.88040 0.37700 0.08530 1.00000 0.00747
O10 0.10540 0.15380 0.08530 0.99000 0.00747
O11 0.10880 0.61670 0.08630 1.00000 0.00747
O12 0.63940 0.10900 0.08770 0.95000 0.01013
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020519
