#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:02:58 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/75/1527544.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_1527544
loop_
_publ_author_name
'Hoppe, R.'
'Rieck, H.'
_publ_section_title
;
 Zur Kenntnis von Na4 (Fe O3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              95
_journal_page_last               104
_journal_volume                  437
_journal_year                    1977
_chemical_formula_sum            'Fe Na4 O3'
_chemical_name_systematic        'Na4 (Fe O3)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.967
_cell_length_b                   5.82
_cell_length_c                   8.224
_cell_volume                     479.539
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hoppe_ZAACAB_1977_911.cif
_cod_data_source_block           Fe1Na4O3
_cod_original_cell_volume        479.5392
_cod_original_formula_sum        'Fe1 Na4 O3'
_cod_database_code               1527544
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
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
Na1 Na+1 0.7072 0.1608 0.631 1 0.0
O2 O-2 0.6468 0.989 0.843 1 0.0
Na3 Na+1 0.1127 0.162 0.445 1 0.0
Na2 Na+1 0.3062 0.7879 0.351 1 0.0
O1 O-2 0.3159 0.905 0.109 1 0.0
Na4 Na+1 0.8856 0.841 0.532 1 0.0
O3 O-2 0.4391 0.444 0.296 1 0.0
Fe1 Fe+2 0.9785 0.6464 0.2441 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046066
