The compound described by Sc2Se3 crystallizes in the orthorhombic Immm space group. Sc(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a square co-planar geometry to four equivalent Sc(1) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to four equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_Sc2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.805
_cell_length_b   6.805
_cell_length_c   6.805
_cell_angle_alpha   147.326
_cell_angle_beta   133.255
_cell_angle_gamma   58.197
_symmetry_Int_Tables_number   1
_cell_volume   122.930
_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
  Sc  Sc0  1  0.661  0.161  0.500  1.0
  Sc  Sc1  1  0.339  0.839  0.500  1.0
  Se  Se2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.180  0.180  0.000  1.0
  Se  Se4  1  0.820  0.820  0.000  1.0
[/CIF]
.
The compound described by Sc2Se3 crystallizes in the orthorhombic Immm space group. Sc(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a square co-planar geometry to four equivalent Sc(1) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to four equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_Sc2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.805
_cell_length_b   6.805
_cell_length_c   6.805
_cell_angle_alpha   147.326
_cell_angle_beta   133.255
_cell_angle_gamma   58.197
_symmetry_Int_Tables_number   1
_cell_volume   122.930
_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
  Sc  Sc0  1  0.661  0.161  0.500  1.0
  Sc  Sc1  1  0.339  0.839  0.500  1.0
  Se  Se2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.180  0.180  0.000  1.0
  Se  Se4  1  0.820  0.820  0.000  1.0
[/CIF]
.