YVO₃

YVO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. Y(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form YO12 cuboctahedra that share corners with twelve equivalent Y(1)O12 cuboctahedra, faces with six equivalent Y(1)O12 cuboctahedra, and faces with eight equivalent V(1)O6 octahedra. All Y(1)–O(2) bond lengths are 2.73 Å. All Y(1)–O(1) bond lengths are 2.78 Å. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and faces with eight equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both V(1)–O(2) bond lengths are 2.00 Å. All V(1)–O(1) bond lengths are 1.93 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Y(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to four equivalent Y(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing OY4V2 octahedra. The corner-sharing octahedra are not tilted.