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#$Date: 2015-07-13 02:21:50 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148563 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527179.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_1527179
loop_
_publ_author_name
'Brachtel, G.'
'Hoppe, R.'
_publ_section_title
;
 Das erste Oxoferrat(III) mit Ringstruktur. Na14 (Fe6 O16)
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              45
_journal_page_last               45
_journal_volume                  89
_journal_year                    1977
_chemical_formula_sum            'Fe6 Na14 O16'
_chemical_name_systematic        'Na14 Fe6 O16'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.3
_cell_angle_beta                 87.7
_cell_angle_gamma                111.2
_cell_formula_units_Z            1
_cell_length_a                   11.472
_cell_length_b                   8.337
_cell_length_c                   5.966
_cell_volume                     500.040
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Brachtel_ANCEAD_1977_599.cif
_cod_data_source_block           Fe6Na14O16
_cod_original_cell_volume        500.0397
_cod_database_code               1527179
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
Na5 Na+1 0.4351 0.0766 0.3755 1 0.0
Na3 Na+1 0.9538 0.0932 0.3122 1 0.0
O7 O-2 0.3044 0.423 0.9572 1 0.0
Na6 Na+1 0.3333 0.1108 0.8716 1 0.0
O8 O-2 0.7724 0.2392 0.0545 1 0.0
Na2 Na+1 0.9495 0.4921 0.2643 1 0.0
Fe3 Fe+3 0.85 0.1093 0.817 1 0.0
O5 O-2 0.5621 0.3448 0.3254 1 0.0
O1 O-2 0.7727 0.0207 0.513 1 0.0
Na4 Na+1 0.5307 0.4618 0.7229 1 0.0
O4 O-2 0.0254 0.2376 0.8091 1 0.0
Fe2 Fe+3 0.6377 0.3249 0.0443 1 0.0
O6 O-2 0.1141 0.4238 0.3583 1 0.0
Fe1 Fe+3 0.1504 0.3066 0.0616 1 0.0
O2 O-2 0.5335 0.1898 0.7648 1 0.0
Na1 Na+1 0.2251 0.2923 0.5465 1 0.0
O3 O-2 0.1583 0.0919 0.0925 1 0.0
Na7 Na+1 0.7202 0.2825 0.5094 1 0.0