Materials Data on InCl by Materials Project

Abstract

InCl crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.90–3.36 Å. In the second In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.91–2.98 Å. In the third In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.93 Å. In the fourth In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.94 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four In1+ atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three In1+ atoms. In the third Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms.