data_9010003
_chemical_name 'Nickeline'
loop_
_publ_author_name
'Thompson J G'
'Rae A D'
'Withers R L'
'Welberry T R'
'Willis A C'
_journal_name_full "Journal of Physics C: Solid State Physics"
_journal_volume 21
_journal_year 1988
_journal_page_first 4007
_journal_page_last 4015
_publ_section_title
;
 The crystal structure of nickel arsenide
 Locality: synthetic
 Note: room temperature, solution 1
;
_chemical_formula_sum 'Ni As'
_cell_length_a 10.8568
_cell_length_b 6.2682
_cell_length_c 5.0340
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 342.577
_symmetry_space_group_name_H-M 'C m c 21'
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   0.00290  -0.00110
Ni2   0.33330  -0.00700   0.00060
As1   0.00000   0.33330   0.74190
As2   0.33330   0.33330   0.75410