#------------------------------------------------------------------------------
#$Date: 2010-04-10 19:37:29 +0100 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009782.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_9009782
loop_
_publ_author_name
'Pauling, L.'
'Hendricks, S. B.'
_publ_section_title
;
 Crystal structures of hematite and corundum
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              781
_journal_page_last               790
_journal_volume                  47
_journal_year                    1925
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Hematite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                55.28
_cell_angle_beta                 55.28
_cell_angle_gamma                55.28
_cell_length_a                   5.420
_cell_length_b                   5.420
_cell_length_c                   5.420
_cell_volume                     100.236
_exptl_crystal_density_diffrn    5.291
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_12450'
_[local]_cod_cif_authors_sg_H-M  'R -3 c'
_cod_database_code               9009782
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2-z,1/2-y
-z,-x,-y
1/2+y,1/2+x,1/2+z
y,z,x
1/2-z,1/2-y,1/2-x
-x,-y,-z
1/2+x,1/2+z,1/2+y
z,x,y
1/2-y,1/2-x,1/2-z
-y,-z,-x
1/2+z,1/2+y,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.35500 0.35500 0.35500
O 0.54200 -0.04200 0.25000