MoO2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing MoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second Mo site, Mo(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and edges with two equivalent Mo(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(2) atoms.
MoO2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing MoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-57°. Both Mo(1)-O(1) bond lengths are 1.83 Å. Both Mo(1)-O(2) bond lengths are 1.93 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and edges with two equivalent Mo(2)O6 octahedra. Both Mo(2)-O(1) bond lengths are 2.13 Å. All Mo(2)-O(2) bond lengths are 2.19 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(2) atoms.