#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/9/9010004.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9010004
loop_
_publ_author_name
'Thompson J G'
'Rae A D'
'Withers R L'
'Welberry T R'
'Willis A C'
_publ_section_title
;
 The crystal structure of nickel arsenide
 Locality: synthetic
 Note: room temperature, solution 2
;
_journal_name_full               'Journal of Physics C: Solid State Physics'
_journal_page_first              4007
_journal_page_last               4015
_journal_volume                  21
_journal_year                    1988
_chemical_formula_sum            'As Ni'
_[local]_cod_chemical_formula_sum_orig 'Ni As'
_chemical_name_mineral           Nickeline
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.8568
_cell_length_b                   6.2682
_cell_length_c                   5.0340
_cell_volume                     342.577
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni1 0.00000 0.01040 -0.00050
Ni2 0.33330 0.00040 0.00030
As1 0.00000 0.33330 0.74190
As2 0.33330 0.33330 0.75400
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ni1 0.01010 0.01010 0.00460 0.00000 0.00000 0.00000
Ni2 0.01010 0.01010 0.00460 0.00000 0.00000 0.00000
As1 0.00590 0.00590 0.01030 0.00000 0.00000 0.00000
As2 0.00590 0.00590 0.01030 0.00000 0.00000 0.00000
_cod_database_code 9010004