Materials Data on Mo(SeCl6)2 by Materials Project
Mo(SeCl6)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Mo4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Mo–Cl bond distances ranging from 2.36–2.43 Å. Se4+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.19–3.04 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo4+ and one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Mo4+ and one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Mo4+ and one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom.