#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/43/1534306.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_1534306
loop_
_publ_author_name
'Brachtel, G.'
'Hoppe, R.'
_publ_section_title
;
 Zur Kenntnis von Na5 Fe O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              77
_journal_page_last               86
_journal_volume                  446
_journal_year                    1978
_chemical_formula_sum            'Fe Na5 O4'
_chemical_name_systematic        'Na5 (Fe O4)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.334
_cell_length_b                   5.974
_cell_length_c                   18.08199
_cell_volume                     1116.297
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Brachtel_ZAACAB_1978_319.cif
_cod_data_source_block           Fe1Na5O4
_cod_original_formula_sum        'Fe1 Na5 O4'
_cod_database_code               1534306
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
Na2 Na+1 0.064 0.0842 0.4348 1 0.0
O2 O-2 0.1265 0.264 0.2114 1 0.0
Na5 Na+1 0.3005 0.0751 0.1386 1 0.0
Fe1 Fe+3 0.0398 0.1739 0.1236 1 0.0
Na4 Na+1 0.3389 0.0924 0.5012 1 0.0
O3 O-2 0.1326 0.1987 0.5454 1 0.0
O1 O-2 0.363 0.2639 0.3745 1 0.0
O4 O-2 0.4521 0.1409 0.6209 1 0.0
Na1 Na+1 0.1728 0.1038 0.8277 1 0.0
Na3 Na+1 0.4177 0.1054 0.7508 1 0.0
