The material described by ScSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded to twelve equivalent O(1) atoms to form ScO12 cuboctahedra that share corners with twelve equivalent Sc(1)O12 cuboctahedra, faces with six equivalent Sc(1)O12 cuboctahedra, and faces with eight equivalent Si(1)O6 octahedra. Si(1) is bonded to six equivalent O(1) atoms to form SiO6 octahedra that share corners with six equivalent Si(1)O6 octahedra and faces with eight equivalent Sc(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Sc(1) and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_ScSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.582
_cell_length_b   3.582
_cell_length_c   3.582
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.978
_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  0.000  0.000  0.000  1.0
  Si  Si1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by ScSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded to twelve equivalent O(1) atoms to form ScO12 cuboctahedra that share corners with twelve equivalent Sc(1)O12 cuboctahedra, faces with six equivalent Sc(1)O12 cuboctahedra, and faces with eight equivalent Si(1)O6 octahedra. Si(1) is bonded to six equivalent O(1) atoms to form SiO6 octahedra that share corners with six equivalent Si(1)O6 octahedra and faces with eight equivalent Sc(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Sc(1) and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_ScSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.582
_cell_length_b   3.582
_cell_length_c   3.582
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.978
_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  0.000  0.000  0.000  1.0
  Si  Si1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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