The structure described by FeSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Fe(1) is bonded to six equivalent Se(1) atoms to form corner-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. Se(1) is bonded in a 3-coordinate geometry to three equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_FeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   5.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.734
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.123  0.877  0.377  1.0
  Se  Se5  1  0.877  0.377  0.123  1.0
  Se  Se6  1  0.377  0.123  0.877  1.0
  Se  Se7  1  0.623  0.623  0.623  1.0
  Se  Se8  1  0.877  0.123  0.623  1.0
  Se  Se9  1  0.123  0.623  0.877  1.0
  Se  Se10  1  0.623  0.877  0.123  1.0
  Se  Se11  1  0.377  0.377  0.377  1.0
[/CIF]
.
The structure described by FeSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Fe(1) is bonded to six equivalent Se(1) atoms to form corner-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. Se(1) is bonded in a 3-coordinate geometry to three equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_FeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   5.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.734
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.123  0.877  0.377  1.0
  Se  Se5  1  0.877  0.377  0.123  1.0
  Se  Se6  1  0.377  0.123  0.877  1.0
  Se  Se7  1  0.623  0.623  0.623  1.0
  Se  Se8  1  0.877  0.123  0.623  1.0
  Se  Se9  1  0.123  0.623  0.877  1.0
  Se  Se10  1  0.623  0.877  0.123  1.0
  Se  Se11  1  0.377  0.377  0.377  1.0
[/CIF]
.