#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/10/2311019.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2311019
loop_
_publ_author_name
'Willis, B.T.M.'
'Rooksby, H.P.'
_publ_section_title
;
 Change of structure of ferrous oxide at low temperature
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              827
_journal_page_last               831
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'Fe0.974 O'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                59.383
_cell_angle_beta                 59.383
_cell_angle_gamma                59.383
_cell_formula_units_Z            1
_cell_length_a                   3.055
_cell_length_b                   3.055
_cell_length_c                   3.055
_cell_volume                     19.878
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Willis_ACCRA9_1953_202.cif
_cod_data_source_block           Fe0.974O1
_cod_original_cell_volume        19.8782
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Fe0.974 O1'
_cod_database_code               2311019
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.5 0.5 0.5 1 0.0
Fe1 Fe+2 0 0 0 0.974 0.0
