The material structure described by Sc2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. Sc(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge, corner, and face-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. O(1) is bonded to four equivalent Sc(1) atoms to form a mixture of distorted edge and corner-sharing OSc4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   5.666
_cell_length_c   5.348
_cell_angle_alpha   118.159
_cell_angle_beta   60.000
_cell_angle_gamma   118.159
_symmetry_Int_Tables_number   1
_cell_volume   117.690
_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  0.144  0.432  0.144  1.0
  Sc  Sc1  1  0.356  0.068  0.356  1.0
  Sc  Sc2  1  0.644  0.932  0.644  1.0
  Sc  Sc3  1  0.856  0.568  0.856  1.0
  O  O4  1  0.250  0.750  0.549  1.0
  O  O5  1  0.049  0.250  0.750  1.0
  O  O6  1  0.451  0.250  0.049  1.0
  O  O7  1  0.549  0.750  0.951  1.0
  O  O8  1  0.951  0.750  0.250  1.0
  O  O9  1  0.750  0.250  0.451  1.0
[/CIF]
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The material structure described by Sc2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. Sc(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge, corner, and face-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. O(1) is bonded to four equivalent Sc(1) atoms to form a mixture of distorted edge and corner-sharing OSc4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   5.666
_cell_length_c   5.348
_cell_angle_alpha   118.159
_cell_angle_beta   60.000
_cell_angle_gamma   118.159
_symmetry_Int_Tables_number   1
_cell_volume   117.690
_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  0.144  0.432  0.144  1.0
  Sc  Sc1  1  0.356  0.068  0.356  1.0
  Sc  Sc2  1  0.644  0.932  0.644  1.0
  Sc  Sc3  1  0.856  0.568  0.856  1.0
  O  O4  1  0.250  0.750  0.549  1.0
  O  O5  1  0.049  0.250  0.750  1.0
  O  O6  1  0.451  0.250  0.049  1.0
  O  O7  1  0.549  0.750  0.951  1.0
  O  O8  1  0.951  0.750  0.250  1.0
  O  O9  1  0.750  0.250  0.451  1.0
[/CIF]
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