#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/49/1534968.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_1534968
loop_
_publ_author_name
'Sobotka, B.M.'
'Moeller, A.'
_publ_section_title
;
 Zur Synthese von Na3 Fe O3, einem ternaeren Oxoferrat(III) mit
 Kettenstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2063
_journal_page_last               2065
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Fe Na3 O3'
_chemical_name_systematic        'Na3 (Fe O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.02
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7994
_cell_length_b                   12.659
_cell_length_c                   5.8283
_cell_volume                     384.513
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sobotka_ZAACAB_2003_1113.cif
_cod_data_source_block           Fe1Na3O3
_cod_original_cell_volume        384.5126
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Fe1 Na3 O3'
_cod_database_code               1534968
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
Na3 Na+1 0.1435 0.22242 0.6979 1 0.0
O1 O-2 0.3745 0.4366 0.195 1 0.0
O2 O-2 0.006 0.3731 0.45 1 0.0
O3 O-2 -0.0747 0.2698 -0.0451 1 0.0
Na2 Na+1 0.2457 0.48514 -0.2211 1 0.0
Na1 Na+1 0.2181 0.09402 0.1451 1 0.0
Fe1 Fe+3 0.1771 0.33505 0.25798 1 0.0
