Materials Data on SnSe2(Cl4O)2 by Materials Project

Abstract

SnSe2(OCl4)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four SnSe2(OCl4)2 clusters. Sn4+ is bonded in an octahedral geometry to two equivalent O2- and four Cl1- atoms. Both Sn–O bond lengths are 2.24 Å. There are two shorter (2.39 Å) and two longer (2.44 Å) Sn–Cl bond lengths. Se4+ is bonded in a 1-coordinate geometry to one O2- and two Cl1- atoms. The Se–O bond length is 1.69 Å. Both Se–Cl bond lengths are 2.20 Å. O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one Se4+ atom. There are four 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 distorted single-bond geometry to one Sn4+ 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 single-bond geometry to one Sn4+ atom.