#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017518.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_9017518
loop_
_publ_author_name
'Pauling, L.'
'Hendricks, S.'
_publ_section_title
;
 The Structure of Hematite
;
_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            'Fe O3'
_chemical_name_mineral           Hematite
_space_group_IT_number           161
_space_group_name_Hall           'P 3* -2n'
_space_group_name_H-M_alt        'R 3 c :R'
_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                   5.43
_cell_length_b                   5.43
_cell_length_c                   5.43
_cell_formula_units_Z            2
_cell_volume                     100.792
_database_code_amcsd             0018106
_exptl_crystal_density_diffrn    3.422
_cod_data_source_file            inputs/fixed/downloads/17/17487.cif
_cod_data_source_block           17487
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               9017518
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.10500 0.10500 0.10500
O1 0.29200 -0.29200 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018106