The compound described by CoSe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Co(1) is bonded to six equivalent Se(1) atoms to form a mixture of edge and corner-sharing CoSe6 octahedra. The corner-sharing octahedral tilt angles are 59°. Se(1) is bonded to three equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing SeCo3 tetrahedra. is represented by the CIF file [CIF]
data_CoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.656
_cell_length_b   4.855
_cell_length_c   5.880
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   104.368
_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
  Co  Co0  1  1.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.000  0.205  0.375  1.0
  Se  Se3  1  0.000  0.795  0.625  1.0
  Se  Se4  1  0.500  0.705  0.125  1.0
  Se  Se5  1  0.500  0.295  0.875  1.0
[/CIF]
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The compound described by CoSe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Co(1) is bonded to six equivalent Se(1) atoms to form a mixture of edge and corner-sharing CoSe6 octahedra. The corner-sharing octahedral tilt angles are 59°. Se(1) is bonded to three equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing SeCo3 tetrahedra. is represented by the CIF file [CIF]
data_CoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.656
_cell_length_b   4.855
_cell_length_c   5.880
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   104.368
_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
  Co  Co0  1  1.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.000  0.205  0.375  1.0
  Se  Se3  1  0.000  0.795  0.625  1.0
  Se  Se4  1  0.500  0.705  0.125  1.0
  Se  Se5  1  0.500  0.295  0.875  1.0
[/CIF]
.