MoO2 crystallizes in the triclinic P-1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MoO6 octahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing MoO6 octahedra. In the third Mo site, Mo(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MoO6 octahedra. In the fourth Mo site, Mo(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MoO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(4) atom.
MoO2 crystallizes in the triclinic P-1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MoO6 octahedra. Both Mo(1)-O(1) bond lengths are 2.14 Å. Both Mo(1)-O(3) bond lengths are 2.06 Å. Both Mo(1)-O(4) bond lengths are 2.07 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing MoO6 octahedra. Both Mo(2)-O(1) bond lengths are 2.06 Å. Both Mo(2)-O(2) bond lengths are 2.08 Å. Both Mo(2)-O(4) bond lengths are 2.13 Å. In the third Mo site, Mo(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MoO6 octahedra. Both Mo(3)-O(1) bond lengths are 2.06 Å. Both Mo(3)-O(2) bond lengths are 2.06 Å. Both Mo(3)-O(3) bond lengths are 2.15 Å. In the fourth Mo site, Mo(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MoO6 octahedra. Both Mo(4)-O(2) bond lengths are 2.13 Å. Both Mo(4)-O(3) bond lengths are 2.06 Å. Both Mo(4)-O(4) bond lengths are 2.07 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(4) atom.