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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006318.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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
_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_volume                     1734.029
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
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
_cod_database_code 9006318