The structure described by ScSe2 crystallizes in the tetragonal P4/nmm space group. Sc(1) is bonded in a 9-coordinate geometry to four equivalent Se(2) and five equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to five equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing SeSc5 trigonal bipyramids. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Se(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.951
_cell_length_b   3.951
_cell_length_c   7.933
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   123.833
_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
  Sc  Sc0  1  0.000  0.500  0.727  1.0
  Sc  Sc1  1  0.500  0.000  0.273  1.0
  Se  Se2  1  0.000  0.500  0.373  1.0
  Se  Se3  1  0.500  0.000  0.627  1.0
  Se  Se4  1  0.000  0.000  0.000  1.0
  Se  Se5  1  0.500  0.500  0.000  1.0
[/CIF]
.
The structure described by ScSe2 crystallizes in the tetragonal P4/nmm space group. Sc(1) is bonded in a 9-coordinate geometry to four equivalent Se(2) and five equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to five equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing SeSc5 trigonal bipyramids. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Se(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.951
_cell_length_b   3.951
_cell_length_c   7.933
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   123.833
_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
  Sc  Sc0  1  0.000  0.500  0.727  1.0
  Sc  Sc1  1  0.500  0.000  0.273  1.0
  Se  Se2  1  0.000  0.500  0.373  1.0
  Se  Se3  1  0.500  0.000  0.627  1.0
  Se  Se4  1  0.000  0.000  0.000  1.0
  Se  Se5  1  0.500  0.500  0.000  1.0
[/CIF]
.