YScO3 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded to six equivalent O(1) atoms to form distorted YO6 octahedra that share corners with six equivalent Sc(1)O5 trigonal bipyramids and edges with six equivalent Y(1)O6 octahedra. Sc(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form ScO5 trigonal bipyramids that share corners with six equivalent Y(1)O6 octahedra and corners with six equivalent Sc(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Y(1) and one Sc(1) atom to form a mixture of corner and edge-sharing OY3Sc tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Sc(1) atoms.
YScO3 crystallizes in the hexagonal P6_3/mmc space group. Y(1) is bonded to six equivalent O(1) atoms to form distorted YO6 octahedra that share corners with six equivalent Sc(1)O5 trigonal bipyramids and edges with six equivalent Y(1)O6 octahedra. All Y(1)-O(1) bond lengths are 2.32 Å. Sc(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form ScO5 trigonal bipyramids that share corners with six equivalent Y(1)O6 octahedra and corners with six equivalent Sc(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. Both Sc(1)-O(1) bond lengths are 2.08 Å. All Sc(1)-O(2) bond lengths are 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Y(1) and one Sc(1) atom to form a mixture of corner and edge-sharing OY3Sc tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Sc(1) atoms.