YVO3 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 V(1)O5 trigonal bipyramids and edges with six equivalent Y(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form VO5 trigonal bipyramids that share corners with six equivalent Y(1)O6 octahedra and corners with six equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent V(1) atoms. In the second O site, O(1) is bonded to three equivalent Y(1) and one V(1) atom to form a mixture of corner and edge-sharing OY3V tetrahedra.
YVO3 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 V(1)O5 trigonal bipyramids and edges with six equivalent Y(1)O6 octahedra. All Y(1)-O(1) bond lengths are 2.29 Å. V(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form VO5 trigonal bipyramids that share corners with six equivalent Y(1)O6 octahedra and corners with six equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Both V(1)-O(1) bond lengths are 2.03 Å. All V(1)-O(2) bond lengths are 2.03 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent V(1) atoms. In the second O site, O(1) is bonded to three equivalent Y(1) and one V(1) atom to form a mixture of corner and edge-sharing OY3V tetrahedra.