MgVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent V(1) atoms to form distorted corner-sharing OMg2V2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1) and two equivalent V(1) atoms.
MgVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There is one shorter (2.05 Å) and one longer (2.12 Å) Mg(1)-O(1) bond length. There are a spread of Mg(1)-O(2) bond distances ranging from 2.09-2.63 Å. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. Both V(1)-O(1) bond lengths are 1.99 Å. There are two shorter (1.90 Å) and two longer (1.99 Å) V(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent V(1) atoms to form distorted corner-sharing OMg2V2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1) and two equivalent V(1) atoms.