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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/70/9007047.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_9007047
loop_
_publ_author_name
'Vocadlo, L.'
'Knight, K. S.'
'Price, G. D.'
'Wood, I. G.'
_publ_section_title
;
 Thermal expansion and crystal structure of FeSi between 4 and 1173 K
 determined by time-of-flight neutron powder diffraction
 Sample: T = 300 K, epsilon FeSi phase
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              132
_journal_page_last               139
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'Fe Si'
_chemical_name_mineral           FeSi
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.55070
_cell_length_b                   4.55070
_cell_length_c                   4.55070
_cell_volume                     94.240
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    5.916
_cod_database_code               9007047
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.13652 0.13652 0.13652
Si -0.15760 -0.15760 -0.15760
_journal_paper_doi 10.1007/s002690100202