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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/25/9012582.cif $
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#
# 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_9012582
loop_
_publ_author_name
'Kjekshus, A.'
'Peterzens, P. G.'
'Rakke, T.'
'Andresen, A. F.'
_publ_section_title
;
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Locality: synthetic
 Sample: Fe.5Ni.5Sb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              469
_journal_page_last               480
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'Fe0.5 Ni0.5 Sb2'
_chemical_name_mineral           Seinajokite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6417
_cell_length_b                   6.4402
_cell_length_c                   3.3855
_cell_volume                     123.008
_exptl_crystal_density_diffrn    8.120
_cod_original_formula_sum        '(Fe.5 Ni.5) Sb2'
_cod_database_code               9012582
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe 0.00000 0.00000 0.00000 0.50000
Ni 0.00000 0.00000 0.00000 0.50000
Sb 0.19640 0.35970 0.00000 1.00000