#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/63/9006318.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_9006318
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: c) idealized, either one of Fe-oct 1-6,
 or both Fe-oct 6-7 have zero occupancy
;
_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            'Fe3 O4'
_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                   8.33
_cell_length_b                   8.33
_cell_length_c                   24.99
_cell_formula_units_Z            24
_cell_volume                     1734.029
_database_code_amcsd             0007900
_exptl_crystal_density_diffrn    5.321
_cod_database_code               9006318
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
Fe-oct1 0.62500 0.37500 0.08333 1.00000
Fe-oct2 0.12500 0.62500 0.00000 1.00000
Fe-oct3 0.37500 0.12500 0.08333 1.00000
Fe-oct4 0.12500 0.87500 0.08333 1.00000
Fe-oct5 0.87500 0.62500 0.08333 1.00000
Fe-oct6 0.37500 0.37500 0.00000 1.00000
Fe-oct7 0.87500 0.87500 0.00000 1.00000
Fe-tet1 0.50000 0.75000 0.04167 1.00000
Fe-tet2 0.00000 0.25000 0.04167 1.00000
Fe-tet3 0.25000 0.50000 0.12500 1.00000
O1 0.12500 0.12500 0.08333 1.00000
O2 0.62500 0.62500 0.08333 1.00000
O3 0.62500 0.37500 0.00000 1.00000
O4 0.37500 0.12500 0.00000 1.00000
O5 0.62500 0.87500 0.00000 1.00000
O6 0.12500 0.87500 0.00000 1.00000
O7 0.62500 0.12500 0.08333 1.00000
O8 0.37500 0.37500 0.08333 1.00000
O9 0.37500 0.87500 0.08333 1.00000
O10 0.87500 0.37500 0.08333 1.00000
O11 0.87500 0.87500 0.08333 1.00000
O12 0.12500 0.62500 0.08333 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 4937312
2 AMCSD 0007900
