The structure described by CoSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Co(1) is bonded to six equivalent Se(1) atoms to form corner-sharing CoSe6 octahedra. The corner-sharing octahedral tilt angles are 64°. Se(1) is bonded in a 4-coordinate geometry to three equivalent Co(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_CoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.883
_cell_length_b   5.884
_cell_length_c   5.884
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   203.676
_cell_formula_units_Z   4
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  0.000  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.500  0.500  1.0
  Se  Se4  1  0.381  0.381  0.381  1.0
  Se  Se5  1  0.119  0.619  0.881  1.0
  Se  Se6  1  0.881  0.119  0.619  1.0
  Se  Se7  1  0.619  0.881  0.119  1.0
  Se  Se8  1  0.619  0.619  0.619  1.0
  Se  Se9  1  0.881  0.381  0.119  1.0
  Se  Se10  1  0.119  0.881  0.381  1.0
  Se  Se11  1  0.381  0.119  0.881  1.0
[/CIF]
.
The structure described by CoSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Co(1) is bonded to six equivalent Se(1) atoms to form corner-sharing CoSe6 octahedra. The corner-sharing octahedral tilt angles are 64°. Se(1) is bonded in a 4-coordinate geometry to three equivalent Co(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_CoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.883
_cell_length_b   5.884
_cell_length_c   5.884
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   203.676
_cell_formula_units_Z   4
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  0.000  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.500  0.500  1.0
  Se  Se4  1  0.381  0.381  0.381  1.0
  Se  Se5  1  0.119  0.619  0.881  1.0
  Se  Se6  1  0.881  0.119  0.619  1.0
  Se  Se7  1  0.619  0.881  0.119  1.0
  Se  Se8  1  0.619  0.619  0.619  1.0
  Se  Se9  1  0.881  0.381  0.119  1.0
  Se  Se10  1  0.119  0.881  0.381  1.0
  Se  Se11  1  0.381  0.119  0.881  1.0
[/CIF]
.