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#$Date: 2014-07-23 12:49:31 +0300 (Wed, 23 Jul 2014) $
#$Revision: 120677 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/05/4000530.cif $
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#
# 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_4000530
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
loop_
_publ_author_name
_publ_author_address
'Govorov, V.A.'
'Abakumov, A.M.'
'Rozova, M.G.'
'Borzenko, A.G.'
'Vassiliev, S.Yu.'
'Mazin, V.M.'
'Tsirlina, G.A.'
'Antipov, E.V.'
'Morozova, E.N.'
'Gippius, A.A.'
'Ivanov, V.V.'
'Van Tendeloo, G.'
_chemical_formula_sum            'Fe0.66 O4 Sb0.66 Sn0.68'
_chemical_formula_weight         261.9
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_symmetry_space_group_name_Hall  '-P 4n;-2n'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-y,1/2+x,1/2+z
3 1/2-x,1/2+y,1/2+z
4 -x,-y,z
5 -y,-x,z
6 1/2+y,1/2-x,1/2+z
7 1/2+x,1/2-y,1/2+z
8 y,x,z
9 -x,-y,-z
10 1/2+y,1/2-x,1/2-z
11 1/2+x,1/2-y,1/2-z
12 x,y,-z
13 y,x,-z
14 1/2-y,1/2+x,1/2-z
15 1/2-x,1/2+y,1/2-z
16 -y,-x,-z
_cell_length_a                   4.66455
_cell_length_b                   4.66455
_cell_length_c                   3.10913
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     67.649
_cell_formula_units_Z            1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_occupancy
Sn Sn 0 0 0 Biso 0.32(2) 2 0.34
Sb Sb 0 0 0 Biso 0.32(2) 2 0.33
Fe Fe 0 0 0 Biso 0.32(2) 2 0.33
O O 0.3015(6) 0.3015(6) 0 Biso 0.35(9) 4 1
_cod_database_code 4000530
_journal_paper_doi 10.1021/cm048145i