Sc2O3 is Corundum-like structured and crystallizes in the trigonal R-3 space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the third Sc site, Sc(3) is bonded to six equivalent O(1) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. O(1) is bonded to one Sc(1), one Sc(3), and two equivalent Sc(2) atoms to form a mixture of corner and edge-sharing OSc4 trigonal pyramids.
Sc2O3 is Corundum-like structured and crystallizes in the trigonal R-3 space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sc(1)-O(1) bond lengths are 2.12 Å. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three shorter (2.05 Å) and three longer (2.24 Å) Sc(2)-O(1) bond lengths. In the third Sc site, Sc(3) is bonded to six equivalent O(1) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sc(3)-O(1) bond lengths are 2.13 Å. O(1) is bonded to one Sc(1), one Sc(3), and two equivalent Sc(2) atoms to form a mixture of corner and edge-sharing OSc4 trigonal pyramids.