Sc2O3 crystallizes in the trigonal P-3m1 space group. Sc(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sc(1) atoms to form OSc4 tetrahedra that share corners with six equivalent O(2)Sc6 octahedra, corners with six equivalent O(1)Sc4 tetrahedra, edges with three equivalent O(2)Sc6 octahedra, and edges with three equivalent O(1)Sc4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-54°. In the second O site, O(2) is bonded to six equivalent Sc(1) atoms to form OSc6 octahedra that share corners with twelve equivalent O(1)Sc4 tetrahedra, edges with six equivalent O(2)Sc6 octahedra, and edges with six equivalent O(1)Sc4 tetrahedra.
Sc2O3 crystallizes in the trigonal P-3m1 space group. Sc(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. All Sc(1)-O(2) bond lengths are 2.41 Å. There are three shorter (2.04 Å) and one longer (2.26 Å) Sc(1)-O(1) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sc(1) atoms to form OSc4 tetrahedra that share corners with six equivalent O(2)Sc6 octahedra, corners with six equivalent O(1)Sc4 tetrahedra, edges with three equivalent O(2)Sc6 octahedra, and edges with three equivalent O(1)Sc4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-54°. In the second O site, O(2) is bonded to six equivalent Sc(1) atoms to form OSc6 octahedra that share corners with twelve equivalent O(1)Sc4 tetrahedra, edges with six equivalent O(2)Sc6 octahedra, and edges with six equivalent O(1)Sc4 tetrahedra.