Materials Data on SbSeCl9 by Materials Project
SbSeCl9 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of four SbSeCl9 clusters. In two of the SbSeCl9 clusters, Sb5+ is bonded to six Cl1- atoms to form SbCl6 octahedra that share a faceface with one SeCl6 octahedra. There are a spread of Sb–Cl bond distances ranging from 2.36–2.48 Å. Se4+ is bonded to six Cl1- atoms to form distorted SeCl6 octahedra that share a faceface with one SbCl6 octahedra. There are a spread of Se–Cl bond distances ranging from 2.19–2.87 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sb5+ and one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sb5+ and one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In two of the SbSeCl9 clusters, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.37–2.48 Å. Se4+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.19–2.91 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sb5+ and one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sb5+ and one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.