#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/63/9006317.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_9006317
loop_
_publ_author_name
'Pecharroman, C.'
'Gonzalez-Carreno T'
'Iglesias, J. E.'
_publ_section_title
;
 The infrared dielectric properties of maghemite, gamma-Fe2O3,
 from reflectance measurement on pressed powders
 Sample: b) idealized
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              21
_journal_page_last               29
_journal_volume                  22
_journal_year                    1995
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Maghemite
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.33
_cell_length_b                   8.33
_cell_length_c                   8.33
_cell_formula_units_Z            12
_cell_volume                     578.010
_database_code_amcsd             0007899
_exptl_crystal_density_diffrn    4.894
_cod_database_code               9006317
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
1/4-x,3/4+z,1/4+y
1/4-z,3/4+y,1/4+x
1/4-y,3/4+x,1/4+z
3/4-x,3/4-z,3/4-y
3/4-z,3/4-y,3/4-x
3/4-y,3/4-x,3/4-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
1/4+x,1/4-z,3/4+y
1/4+z,1/4-y,3/4+x
1/4+y,1/4-x,3/4+z
3/4+x,1/4+z,1/4-y
3/4+z,1/4+y,1/4-x
3/4+y,1/4+x,1/4-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
Fe-oct1 0.87500 0.87500 0.87500 0.33333
Fe-oct2 0.12500 0.87500 0.12500 1.00000
Fe-tet 0.50000 0.50000 0.50000 1.00000
O1 0.12500 0.12500 0.62500 1.00000
O2 0.62500 0.62500 0.62500 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 14147
2 AMCSD 0007899
