The structure described by NiSe is Millerite structured and crystallizes in the trigonal R3m space group. Ni(1) is bonded to five equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing NiSe5 trigonal bipyramids. Se(1) is bonded in a 5-coordinate geometry to five equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_NiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   5.848
_cell_length_c   5.848
_cell_angle_alpha   116.513
_cell_angle_beta   116.513
_cell_angle_gamma   116.513
_symmetry_Int_Tables_number   1
_cell_volume   94.690
_cell_formula_units_Z   3
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  0.007  0.263  0.007  1.0
  Ni  Ni1  1  0.007  0.007  0.263  1.0
  Ni  Ni2  1  0.263  0.007  0.007  1.0
  Se  Se3  1  0.725  0.386  0.725  1.0
  Se  Se4  1  0.725  0.725  0.386  1.0
  Se  Se5  1  0.386  0.725  0.725  1.0
[/CIF]
.
The structure described by NiSe is Millerite structured and crystallizes in the trigonal R3m space group. Ni(1) is bonded to five equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing NiSe5 trigonal bipyramids. Se(1) is bonded in a 5-coordinate geometry to five equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_NiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   5.848
_cell_length_c   5.848
_cell_angle_alpha   116.513
_cell_angle_beta   116.513
_cell_angle_gamma   116.513
_symmetry_Int_Tables_number   1
_cell_volume   94.690
_cell_formula_units_Z   3
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  0.007  0.263  0.007  1.0
  Ni  Ni1  1  0.007  0.007  0.263  1.0
  Ni  Ni2  1  0.263  0.007  0.007  1.0
  Se  Se3  1  0.725  0.386  0.725  1.0
  Se  Se4  1  0.725  0.725  0.386  1.0
  Se  Se5  1  0.386  0.725  0.725  1.0
[/CIF]
.