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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/57/9015767.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_9015767
loop_
_publ_author_name
'Vettier, C.'
'Yelon, W. B.'
_publ_section_title
;
 The structure of FeCl2 at high pressures
 Note: P = 5.97 kbar
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              401
_journal_page_last               405
_journal_volume                  36
_journal_year                    1975
_chemical_formula_sum            'Cl2 Fe'
_chemical_name_mineral           Lawrencite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.585
_cell_length_b                   3.585
_cell_length_c                   5.735
_cell_volume                     63.833
_database_code_amcsd             0018601
_exptl_crystal_density_diffrn    3.297
_[local]_cod_chemical_formula_sum_orig 'Fe Cl2'
_cod_database_code               9015767
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe 0.00000 0.00000 0.00000 0.01646
Cl 0.33333 0.66667 0.23900 0.01393