#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006317.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_9006317
_chemical_name 'Maghemite'
loop_
_publ_author_name
'Pecharroman C'
'Gonzalez-Carreno T'
'Iglesias J E'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 22
_journal_year 1995
_journal_page_first 21
_journal_page_last 29
_publ_section_title
;
 The infrared dielectric properties of maghemite, gamma-Fe2O3,
 from reflectance measurement on pressed powders
 Sample: b) idealized
;
_chemical_formula_sum 'Fe2.667 O4'
_cell_length_a 8.33
_cell_length_b 8.33
_cell_length_c 8.33
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 578.010
_symmetry_space_group_name_H-M 'P 41 3 2'
loop_
_symmetry_equiv_pos_as_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