#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014284.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_9014284
loop_
_publ_author_name
'Wilkinson, M. K.'
'Cable, J. W.'
'Wollan, E. O.'
'Koehler, W. C.'
_publ_section_title
;
 Neutron diffraction investigations of the magnetic ordering in FeBr2,
 CoBr2, FeCl2, and CoCl2
;
_journal_name_full               'Physical Review'
_journal_page_first              497
_journal_page_last               507
_journal_paper_doi               10.1103/PhysRev.113.497
_journal_volume                  113
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Br2 Fe'
_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                   3.772
_cell_length_b                   3.772
_cell_length_c                   6.223
_cell_volume                     76.679
_database_code_amcsd             0018638
_exptl_crystal_density_diffrn    4.670
_cod_original_formula_sum        'Fe Br2'
_cod_database_code               9014284
_amcsd_formula_title             FeBr2
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
Fe 0.00000 0.00000 0.00000
Br 0.33333 0.66667 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018638