Materials Data on LiMg by Materials Project

Abstract

LiMg crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to eight Mg atoms. There are a spread of Li–Mg bond distances ranging from 2.92–2.98 Å. In the second Li site, Li is bonded in a distorted body-centered cubic geometry to two equivalent Li and six Mg atoms. Both Li–Li bond lengths are 2.90 Å. There are four shorter (2.98 Å) and two longer (3.01 Å) Li–Mg bond lengths. In the third Li site, Li is bonded in a distorted body-centered cubic geometry to two equivalent Li and six Mg atoms. There are four shorter (2.99 Å) and two longer (3.03 Å) Li–Mg bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six Li atoms. In the second Mg site, Mg is bonded in a 8-coordinate geometry to six Li atoms. In the third Mg site, Mg is bonded in a body-centered cubic geometry to eight Li atoms.