#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/97/9009782.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_paper_doi               10.1021/ja01680a027
_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_formula_units_Z            2
_cell_volume                     100.236
_database_code_amcsd             0014076
_exptl_crystal_density_diffrn    5.291
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9009782
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 14147
2 AMCSD 0014076
