#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012410.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_9012410
loop_
_publ_author_name
'Stassen, W. N.'
'Heyding, R. D.'
_publ_section_title
;
 Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2
 Locality: synthetic
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              2159
_journal_page_last               2163
_journal_volume                  46
_journal_year                    1968
_chemical_formula_sum            'As2 Ni'
_chemical_name_mineral           Pararammelsbergite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.770
_cell_length_b                   5.838
_cell_length_c                   11.419
_cell_volume                     384.652
_[local]_cod_data_source_file    12348.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Ni As2'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni 0.02000 0.82300 0.13500
As1 0.86500 0.19400 0.06900
As2 0.12300 0.44700 0.18200