Materials Data on Li13In3 by Materials Project

Abstract

Li13In3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Li–Li bond lengths are 2.73 Å. All Li–In bond lengths are 2.87 Å. In the second Li site, Li is bonded in a distorted linear geometry to two equivalent In atoms. Both Li–In bond lengths are 2.87 Å. In the third Li site, Li is bonded in a 1-coordinate geometry to seven Li and four In atoms. There are three shorter (2.86 Å) and three longer (2.90 Å) Li–Li bond lengths. There are one shorter (3.01 Å) and three longer (3.24 Å) Li–In bond lengths. In the fourth Li site, Li is bonded in a distorted water-like geometry to four equivalent Li and three In atoms. There are two shorter (2.90 Å) and one longer (3.28 Å) Li–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted body-centered cubic geometry to fourteen Li atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.