The structure described by Sc2SO2 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Sc(1) atoms to form distorted SSc6 pentagonal pyramids that share corners with twelve equivalent O(1)Sc4 tetrahedra, edges with six equivalent S(1)Sc6 pentagonal pyramids, and edges with six equivalent O(1)Sc4 tetrahedra. O(1) is bonded to four equivalent Sc(1) atoms to form OSc4 tetrahedra that share corners with six equivalent S(1)Sc6 pentagonal pyramids, corners with six equivalent O(1)Sc4 tetrahedra, edges with three equivalent S(1)Sc6 pentagonal pyramids, and edges with three equivalent O(1)Sc4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.536
_cell_length_b   3.536
_cell_length_c   12.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   136.082
_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  0.333  0.667  0.607  1.0
  Sc  Sc1  1  0.667  0.333  0.107  1.0
  Sc  Sc2  1  0.667  0.333  0.393  1.0
  Sc  Sc3  1  0.333  0.667  0.893  1.0
  S  S4  1  0.000  0.000  0.250  1.0
  S  S5  1  0.000  0.000  0.750  1.0
  O  O6  1  0.667  0.333  0.565  1.0
  O  O7  1  0.333  0.667  0.065  1.0
  O  O8  1  0.333  0.667  0.435  1.0
  O  O9  1  0.667  0.333  0.935  1.0
[/CIF]
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The structure described by Sc2SO2 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Sc(1) atoms to form distorted SSc6 pentagonal pyramids that share corners with twelve equivalent O(1)Sc4 tetrahedra, edges with six equivalent S(1)Sc6 pentagonal pyramids, and edges with six equivalent O(1)Sc4 tetrahedra. O(1) is bonded to four equivalent Sc(1) atoms to form OSc4 tetrahedra that share corners with six equivalent S(1)Sc6 pentagonal pyramids, corners with six equivalent O(1)Sc4 tetrahedra, edges with three equivalent S(1)Sc6 pentagonal pyramids, and edges with three equivalent O(1)Sc4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.536
_cell_length_b   3.536
_cell_length_c   12.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   136.082
_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  0.333  0.667  0.607  1.0
  Sc  Sc1  1  0.667  0.333  0.107  1.0
  Sc  Sc2  1  0.667  0.333  0.393  1.0
  Sc  Sc3  1  0.333  0.667  0.893  1.0
  S  S4  1  0.000  0.000  0.250  1.0
  S  S5  1  0.000  0.000  0.750  1.0
  O  O6  1  0.667  0.333  0.565  1.0
  O  O7  1  0.333  0.667  0.065  1.0
  O  O8  1  0.333  0.667  0.435  1.0
  O  O9  1  0.667  0.333  0.935  1.0
[/CIF]
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