Materials Data on InSn2Cl5 by Materials Project

Abstract

InSn2Cl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. In1+ is bonded in a 1-coordinate geometry to six Cl1- atoms. There are a spread of In–Cl bond distances ranging from 3.12–3.36 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Sn–Cl bond distances ranging from 2.78–2.97 Å. In the second Sn2+ site, Sn2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Sn–Cl bond distances ranging from 2.79–3.07 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent In1+ and two equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one In1+ and two Sn2+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one In1+ and two Sn2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent In1+ and two equivalent Sn2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Sn2+ atoms.