#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/12/1011267.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_1011267
loop_
_publ_author_name
'Zachariasen, W H'
_publ_section_title
;
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
Verbindungen ABO3
;
_journal_coden_ASTM              SUNVAQ
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1928
_journal_year                    1928
_chemical_formula_structural     'Fe2 O3'
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Hematite
_chemical_name_systematic        'Iron(III) oxide'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                55.23(13)
_cell_angle_beta                 55.23(13)
_cell_angle_gamma                55.23(13)
_cell_formula_units_Z            2
_cell_length_a                   5.431(20)
_cell_length_b                   5.431(20)
_cell_length_c                   5.431(20)
_cell_volume                     100.7
_exptl_crystal_density_meas      5.26
_cod_original_sg_symbol_H-M      'R -3 c R'
_cod_database_code               1011267
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
-x,-y,-z
-y,-z,-x
-z,-x,-y
1/2+y,1/2+x,1/2+z
1/2+z,1/2+y,1/2+x
1/2+x,1/2+z,1/2+y
1/2-y,1/2-x,1/2-z
1/2-z,1/2-y,1/2-x
1/2-x,1/2-z,1/2-y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Fe1 Fe3+ 4 c 0.100(1) 0.100(1) 0.100(1) 1. 0 d
O1 O2- 6 e -0.3 0.8 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe3+ 3.000
O2- -2.000