Materials Data on MoH(ClO)2 by Materials Project

MoH(OCl)2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is one-dimensional and consists of two MoH(OCl)2 ribbons oriented in the (1, 0, 0) direction. Mo5+ is bonded in a 5-coordinate geometry to one H1+, three O2-, and two equivalent Cl1- atoms. The Mo–H bond length is 2.47 Å. There are a spread of Mo–O bond distances ranging from 1.70–2.10 Å. Both Mo–Cl bond lengths are 2.32 Å. H1+ is bonded in a single-bond geometry to one Mo5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Mo5+ atoms. Cl1- is bonded in a single-bond geometry to one Mo5+ atom.