#------------------------------------------------------------------------------
#$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201954 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011167.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_1011167
loop_
_publ_author_name
'Jette, E R'
'Foote, F'
_publ_section_title
;
An x-ray study of the wuestite (Fe O) solid solutions
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1063/1.1749215
_journal_volume                  1
_journal_year                    1933
_chemical_compound_source        'synthetic at 1323 K for 1d, rapidly cooled'
_chemical_formula_structural     'Fe.944 O'
_chemical_formula_sum            'Fe0.944 O'
_chemical_name_mineral           Wuestite
_chemical_name_systematic        'Iron oxide (0.94/1)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.2997
_cell_length_b                   4.2997
_cell_length_c                   4.2997
_cell_volume                     79.5
_exptl_crystal_density_meas      5.72
_cod_original_formula_sum        'Fe.944 O'
_cod_database_code               1011167
loop_
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y,z,x
z,x,y
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y,x,z
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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 Fe2+ 4 a 0. 0. 0. 0.944 0 d
O1 O2- 4 b 0.5 0.5 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe2+ 2.059
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 396260
