data_9009896
_chemical_name 'Ni2.8(SeTe)'
loop_
_publ_author_name
'Rost E'
'Vestersjo E'
_journal_name_full "Acta Chemica Scandinavica"
_journal_volume 22
_journal_year 1968
_journal_page_first 2118
_journal_page_last 2134
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase A, sample 34
 Locality: synthetic
;
_chemical_formula_sum 'Ni1.4 (Se.5 Te.5)'
_cell_length_a 3.734
_cell_length_b 3.734
_cell_length_c 5.757
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 80.268
_symmetry_space_group_name_H-M 'P 4/n m m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  'x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,-x,-z'
  '-y,x,-z'
  '1/2+y,1/2-x,z'
  '-x,y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ni   0.00000   0.00000   0.00000   1.00000   0.05319
Ni   0.00000   0.50000   0.67800   0.40000   0.04939
Se   0.00000   0.50000   0.28900   0.50000   0.02153
Te   0.00000   0.50000   0.28900   0.50000   0.02153