#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010644.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_1010644
loop_
_publ_author_name
'Goldsztaub, M S'
_publ_section_title
;
Etude de quelques derives de l'oxyde ferrique (Fe O * O H, Fe O² Na,
Fe O Cl) determination de leurs structures.
;
_journal_coden_ASTM              BSFMAU
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie (-71,1948)
;
_journal_page_first              6
_journal_page_last               6
_journal_volume                  58
_journal_year                    1935
_chemical_formula_structural     'Fe Na O2'
_chemical_formula_sum            'Fe Na O2'
_chemical_name_systematic        'Iron(III) sodium oxide'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                31.33
_cell_angle_beta                 31.33
_cell_angle_gamma                31.33
_cell_formula_units_Z            1
_cell_length_a                   5.59
_cell_length_b                   5.59
_cell_length_c                   5.59
_cell_volume                     41.9
_exptl_crystal_density_meas      4.23
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1010644
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,z
y,z,x
x,z,y
z,x,y
z,y,x
-x,-y,-z
-y,-x,-z
-y,-z,-x
-x,-z,-y
-z,-x,-y
-z,-y,-x
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
Na1 Na1+ 1 a 0. 0. 0. 1. 0 d
Fe1 Fe3+ 1 b 0.5 0.5 0.5 1. 0 d
O1 O2- 2 c 0.222 0.222 0.222 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Fe3+ 3.000
O2- -2.000
