#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/90/1009034.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_1009034
loop_
_publ_author_name
'Bertaut, F'
'Blum, P'
_publ_section_title
;
Structure d'une nouvelle variete de ferrite de sodium (Fe Na O2)
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              429
_journal_page_last               431
_journal_volume                  239
_journal_year                    1954
_chemical_formula_structural     'Na Fe O2'
_chemical_formula_sum            'Fe Na O2'
_chemical_name_systematic        'Sodium iron(III) oxide - $-beta'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.672
_cell_length_b                   7.136
_cell_length_c                   5.377
_cell_volume                     217.6
_exptl_crystal_density_meas      3.38
_cod_database_code               1009034
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,z
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 a 0.075 0.128 0. 1. 0 d
Na1 Na1+ 4 a 0.4 0.135 0.5 1. 0 d
O1 O2- 4 a 0.05 0.1 0.33 1. 0 d
O2 O2- 4 a 0.38 0.125 -0.1 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe3+ 3.000
Na1+ 1.000
O2- -2.000
