#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/06/9000668.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_9000668
loop_
_publ_author_name
'Wilburn, D. R.'
'Bassett, W. A.'
_publ_section_title
;
 Hydrostatic compression of iron and related compounds: An overview
 P = 101 Kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              591
_journal_page_last               596
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.814
_cell_length_b                   2.814
_cell_length_c                   2.814
_cell_formula_units_Z            2
_cell_volume                     22.283
_database_code_amcsd             0000681
_diffrn_ambient_pressure         1.01e+07
_exptl_crystal_density_diffrn    8.324
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9000668
loop_
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x,y,z
1/2+x,1/2+y,1/2+z
z,-x,y
1/2+z,1/2-x,1/2+y
-y,z,-x
1/2-y,1/2+z,1/2-x
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1/2+x,1/2-y,1/2+z
-z,x,-y
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1/2+x,1/2-z,1/2-y
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1/2+y,1/2-x,1/2-z
-x,z,y
1/2-x,1/2+z,1/2+y
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1/2+z,1/2-y,1/2-x
-y,x,z
1/2-y,1/2+x,1/2+z
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1/2+x,1/2+z,1/2+y
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y,z,x
1/2+y,1/2+z,1/2+x
-x,-y,-z
1/2-x,1/2-y,1/2-z
z,x,y
1/2+z,1/2+x,1/2+y
-y,-z,-x
1/2-y,1/2-z,1/2-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.00000 0.00000 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 22368
2 AMCSD 0000681
