The structure described by MnCoSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Mn(1) is bonded to six equivalent Se(1) atoms to form MnSe6 octahedra that share corners with six equivalent Co(1)Se6 octahedra, edges with six equivalent Mn(1)Se6 octahedra, and edges with six equivalent Co(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 5°. Co(1) is bonded to six equivalent Se(1) atoms to form CoSe6 octahedra that share corners with six equivalent Mn(1)Se6 octahedra, edges with six equivalent Mn(1)Se6 octahedra, and edges with six equivalent Co(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 5°. Se(1) is bonded to three equivalent Mn(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing SeMn3Co3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_MnCoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.154
_cell_length_b   6.154
_cell_length_c   6.154
_cell_angle_alpha   35.268
_cell_angle_beta   35.268
_cell_angle_gamma   35.268
_symmetry_Int_Tables_number   1
_cell_volume   69.405
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.258  0.258  0.258  1.0
  Se  Se3  1  0.742  0.742  0.742  1.0
[/CIF]
.
The structure described by MnCoSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Mn(1) is bonded to six equivalent Se(1) atoms to form MnSe6 octahedra that share corners with six equivalent Co(1)Se6 octahedra, edges with six equivalent Mn(1)Se6 octahedra, and edges with six equivalent Co(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 5°. Co(1) is bonded to six equivalent Se(1) atoms to form CoSe6 octahedra that share corners with six equivalent Mn(1)Se6 octahedra, edges with six equivalent Mn(1)Se6 octahedra, and edges with six equivalent Co(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 5°. Se(1) is bonded to three equivalent Mn(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing SeMn3Co3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_MnCoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.154
_cell_length_b   6.154
_cell_length_c   6.154
_cell_angle_alpha   35.268
_cell_angle_beta   35.268
_cell_angle_gamma   35.268
_symmetry_Int_Tables_number   1
_cell_volume   69.405
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.258  0.258  0.258  1.0
  Se  Se3  1  0.742  0.742  0.742  1.0
[/CIF]
.