Materials Data on MoBr5N2O by Materials Project
MoOBr5N2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four MoOBr5 clusters. In each MoOBr5 cluster, Mo5+ is bonded in a distorted single-bond geometry to one O2- and five Br1- atoms. The Mo–O bond length is 1.70 Å. There are a spread of Mo–Br bond distances ranging from 2.43–2.90 Å. O2- is bonded in a single-bond geometry to one Mo5+ atom. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Mo5+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to one Mo5+ atom.