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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/66/9006657.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_9006657
loop_
_publ_author_name
'Dubrovinsky, L. S.'
'Lazor, P.'
'Saxena, S. K.'
'Haggkvist, P.'
'Weber, H. P.'
'Le Bihan, T.'
'Hausermann, D.'
_publ_section_title
;
 Study of laser heated iron using third generation synchrotron
 X-ray radiation facility with imaging plate at high pressures
 Sample epsilon iron phase: P = 61 GPa, T = 1550 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              539
_journal_page_last               545
_journal_paper_doi               10.1007/s002690050217
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.346
_cell_length_b                   2.346
_cell_length_c                   3.808
_cell_volume                     18.150
_database_code_amcsd             0008239
_diffrn_ambient_pressure         6.1e+07
_diffrn_ambient_temperature      1550
_exptl_crystal_density_diffrn    10.219
_exptl_crystal_pressure_history
;heated iron using third generation synchrotron X-ray radiation facility with
 imaging plate at high pressures Sample epsilon iron phase: P = 61 GPa
;
_exptl_crystal_thermal_history
;heated iron using third generation synchrotron X-ray radiation facility with
 imaging plate at high pressures Sample epsilon iron phase: P = 61 GPa, T =
 1550 K
;
_cod_database_code               9006657
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.33333 0.66667 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 22368