The compound described by NiS2 crystallizes in the tetragonal I-42d space group. Ni(1) is bonded to four equivalent S(1) atoms to form corner-sharing NiS4 tetrahedra. S(1) is bonded in a water-like geometry to two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_NiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.737
_cell_length_b   5.737
_cell_length_c   5.737
_cell_angle_alpha   127.083
_cell_angle_beta   127.083
_cell_angle_gamma   78.115
_symmetry_Int_Tables_number   1
_cell_volume   116.455
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.750  0.250  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.875  0.879  0.504  1.0
  S  S3  1  0.121  0.625  0.996  1.0
  S  S4  1  0.375  0.371  0.496  1.0
  S  S5  1  0.629  0.125  0.004  1.0
[/CIF]
.
The compound described by NiS2 crystallizes in the tetragonal I-42d space group. Ni(1) is bonded to four equivalent S(1) atoms to form corner-sharing NiS4 tetrahedra. S(1) is bonded in a water-like geometry to two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_NiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.737
_cell_length_b   5.737
_cell_length_c   5.737
_cell_angle_alpha   127.083
_cell_angle_beta   127.083
_cell_angle_gamma   78.115
_symmetry_Int_Tables_number   1
_cell_volume   116.455
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.750  0.250  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.875  0.879  0.504  1.0
  S  S3  1  0.121  0.625  0.996  1.0
  S  S4  1  0.375  0.371  0.496  1.0
  S  S5  1  0.629  0.125  0.004  1.0
[/CIF]
.