The crystal structure described by Sc2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Sc site, Sc(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. O(1) is bonded to one Sc(1) and three equivalent Sc(2) atoms to form a mixture of 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   8.542
_cell_length_b   8.542
_cell_length_c   8.542
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   479.729
_cell_formula_units_Z   8
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  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.500  1.0
  Sc  Sc2  1  0.500  0.000  0.000  1.0
  Sc  Sc3  1  0.000  0.500  0.000  1.0
  Sc  Sc4  1  0.250  0.214  0.964  1.0
  Sc  Sc5  1  0.286  0.536  0.750  1.0
  Sc  Sc6  1  0.536  0.750  0.286  1.0
  Sc  Sc7  1  0.214  0.964  0.250  1.0
  Sc  Sc8  1  0.964  0.250  0.214  1.0
  Sc  Sc9  1  0.750  0.286  0.536  1.0
  Sc  Sc10  1  0.750  0.786  0.036  1.0
  Sc  Sc11  1  0.714  0.464  0.250  1.0
  Sc  Sc12  1  0.464  0.250  0.714  1.0
  Sc  Sc13  1  0.786  0.036  0.750  1.0
  Sc  Sc14  1  0.036  0.750  0.786  1.0
  Sc  Sc15  1  0.250  0.714  0.464  1.0
  O  O16  1  0.536  0.773  0.546  1.0
  O  O17  1  0.990  0.954  0.727  1.0
  O  O18  1  0.263  0.773  0.727  1.0
  O  O19  1  0.510  0.237  0.964  1.0
  O  O20  1  0.954  0.727  0.990  1.0
  O  O21  1  0.727  0.263  0.773  1.0
  O  O22  1  0.237  0.964  0.510  1.0
  O  O23  1  0.546  0.536  0.773  1.0
  O  O24  1  0.773  0.546  0.536  1.0
  O  O25  1  0.727  0.990  0.954  1.0
  O  O26  1  0.773  0.727  0.263  1.0
  O  O27  1  0.964  0.510  0.237  1.0
  O  O28  1  0.464  0.227  0.454  1.0
  O  O29  1  0.010  0.046  0.273  1.0
  O  O30  1  0.737  0.227  0.273  1.0
  O  O31  1  0.490  0.763  0.036  1.0
  O  O32  1  0.046  0.273  0.010  1.0
  O  O33  1  0.273  0.737  0.227  1.0
  O  O34  1  0.763  0.036  0.490  1.0
  O  O35  1  0.454  0.464  0.227  1.0
  O  O36  1  0.227  0.454  0.464  1.0
  O  O37  1  0.273  0.010  0.046  1.0
  O  O38  1  0.227  0.273  0.737  1.0
  O  O39  1  0.036  0.490  0.763  1.0
[/CIF]
.
The crystal structure described by Sc2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Sc site, Sc(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. O(1) is bonded to one Sc(1) and three equivalent Sc(2) atoms to form a mixture of 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   8.542
_cell_length_b   8.542
_cell_length_c   8.542
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   479.729
_cell_formula_units_Z   8
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  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.500  1.0
  Sc  Sc2  1  0.500  0.000  0.000  1.0
  Sc  Sc3  1  0.000  0.500  0.000  1.0
  Sc  Sc4  1  0.250  0.214  0.964  1.0
  Sc  Sc5  1  0.286  0.536  0.750  1.0
  Sc  Sc6  1  0.536  0.750  0.286  1.0
  Sc  Sc7  1  0.214  0.964  0.250  1.0
  Sc  Sc8  1  0.964  0.250  0.214  1.0
  Sc  Sc9  1  0.750  0.286  0.536  1.0
  Sc  Sc10  1  0.750  0.786  0.036  1.0
  Sc  Sc11  1  0.714  0.464  0.250  1.0
  Sc  Sc12  1  0.464  0.250  0.714  1.0
  Sc  Sc13  1  0.786  0.036  0.750  1.0
  Sc  Sc14  1  0.036  0.750  0.786  1.0
  Sc  Sc15  1  0.250  0.714  0.464  1.0
  O  O16  1  0.536  0.773  0.546  1.0
  O  O17  1  0.990  0.954  0.727  1.0
  O  O18  1  0.263  0.773  0.727  1.0
  O  O19  1  0.510  0.237  0.964  1.0
  O  O20  1  0.954  0.727  0.990  1.0
  O  O21  1  0.727  0.263  0.773  1.0
  O  O22  1  0.237  0.964  0.510  1.0
  O  O23  1  0.546  0.536  0.773  1.0
  O  O24  1  0.773  0.546  0.536  1.0
  O  O25  1  0.727  0.990  0.954  1.0
  O  O26  1  0.773  0.727  0.263  1.0
  O  O27  1  0.964  0.510  0.237  1.0
  O  O28  1  0.464  0.227  0.454  1.0
  O  O29  1  0.010  0.046  0.273  1.0
  O  O30  1  0.737  0.227  0.273  1.0
  O  O31  1  0.490  0.763  0.036  1.0
  O  O32  1  0.046  0.273  0.010  1.0
  O  O33  1  0.273  0.737  0.227  1.0
  O  O34  1  0.763  0.036  0.490  1.0
  O  O35  1  0.454  0.464  0.227  1.0
  O  O36  1  0.227  0.454  0.464  1.0
  O  O37  1  0.273  0.010  0.046  1.0
  O  O38  1  0.227  0.273  0.737  1.0
  O  O39  1  0.036  0.490  0.763  1.0
[/CIF]
.