data_1009034
_chemical_name_systematic          'Sodium iron(III) oxide - $-beta'
_chemical_formula_structural       'Na Fe O2'
_chemical_formula_sum              'Fe Na O2'
_publ_section_title
;
Structure d'une nouvelle variete de ferrite de sodium (Fe Na O2)
;
loop_
_publ_author_name
  'Bertaut, F'
  'Blum, P'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_coden_ASTM                COREAF
_journal_volume                    239
_journal_year                      1954
_journal_page_first                429
_journal_page_last                 431
_cell_length_a                     5.672
_cell_length_b                     7.136
_cell_length_c                     5.377
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       217.6
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.38
_symmetry_space_group_name_H-M     'P n a 21'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  Fe3+   3.000
  Na1+   1.000
  O2-   -2.000
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