Materials Data on MoO2 by Materials Project

MoO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MoO2 sheet oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent O2- atoms to form edge-sharing MoO6 octahedra. There are four shorter (2.07 Å) and two longer (2.15 Å) Mo–O bond lengths. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms.