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#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015399.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015399
loop_
_publ_author_name
'Vincent, H.'
'Bekka, A.'
'Anne, M.'
'Joubert, J.'
_publ_section_title
;
 Synthese, structure cristalline,conductivite ionique, et proprietes
 magnetiques d'un nouveau ferrite de type alumine beta Na1.3 K.6 Fe10.1 Zn.9 O17
 _cod_database_code 1008437
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               191
_journal_paper_doi               10.1016/0022-4596(89)90005-4
_journal_volume                  81
_journal_year                    1989
_chemical_formula_sum            'Fe11 Na2.4 O16.03'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.947
_cell_length_b                   5.947
_cell_length_c                   35.83
_cell_volume                     1097.421
_database_code_amcsd             0016343
_exptl_crystal_density_diffrn    4.201
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Fe11 O16.03 Na2.4'
_cod_database_code               9015399
_amcsd_formula_title             'Fe10.99 Na2.4 O16.03'
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 0.16889 -0.16889 -0.06991 1.00000
Fe2 0.00000 0.00000 0.35041 0.99900
Fe3 0.00000 0.00000 0.44982 1.00000
Fe4 0.00000 0.00000 0.00000 0.99000
O1 0.15604 -0.15604 0.03389 0.92000
O2 0.16404 -0.16404 0.23599 0.95000
O3 0.00000 0.00000 0.29639 0.98700
O4 0.00000 0.00000 0.09588 0.91800
O5 0.00000 0.00000 0.50000 1.00000
Na1 0.70000 -0.70000 0.16350 0.40000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016343
_cod_duplicate_entry 1008437
