The material described by CoNiSe2 crystallizes in the trigonal P-3m1 space group. Co(1) is bonded to six equivalent Se(1) atoms to form distorted CoSe6 octahedra that share corners with twelve equivalent Ni(1)Se6 octahedra, edges with six equivalent Co(1)Se6 octahedra, and faces with two equivalent Ni(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 51°. Ni(1) is bonded to six equivalent Se(1) atoms to form distorted NiSe6 octahedra that share corners with twelve equivalent Co(1)Se6 octahedra, edges with six equivalent Ni(1)Se6 octahedra, and faces with two equivalent Co(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 51°. Se(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_CoNiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.655
_cell_length_b   3.655
_cell_length_c   5.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   59.821
_cell_formula_units_Z   1
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
  Co  Co0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.333  0.667  0.263  1.0
  Se  Se3  1  0.667  0.333  0.737  1.0
[/CIF]
.
The material described by CoNiSe2 crystallizes in the trigonal P-3m1 space group. Co(1) is bonded to six equivalent Se(1) atoms to form distorted CoSe6 octahedra that share corners with twelve equivalent Ni(1)Se6 octahedra, edges with six equivalent Co(1)Se6 octahedra, and faces with two equivalent Ni(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 51°. Ni(1) is bonded to six equivalent Se(1) atoms to form distorted NiSe6 octahedra that share corners with twelve equivalent Co(1)Se6 octahedra, edges with six equivalent Ni(1)Se6 octahedra, and faces with two equivalent Co(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 51°. Se(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_CoNiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.655
_cell_length_b   3.655
_cell_length_c   5.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   59.821
_cell_formula_units_Z   1
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
  Co  Co0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.333  0.667  0.263  1.0
  Se  Se3  1  0.667  0.333  0.737  1.0
[/CIF]
.