Materials Data on MoH by Materials Project
MoH is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to six equivalent H atoms to form a mixture of edge, face, and corner-sharing MoH6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Mo–H bond lengths are 2.12 Å. H is bonded to six equivalent Mo atoms to form a mixture of distorted edge and corner-sharing HMo6 pentagonal pyramids.