Materials Data on Li3Tm by Materials Project

Abstract

Li3Tm crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 10-coordinate geometry to six Li and four equivalent Tm atoms. There are a spread of Li–Li bond distances ranging from 2.98–3.05 Å. There are two shorter (3.22 Å) and two longer (3.24 Å) Li–Tm bond lengths. In the second Li site, Li is bonded in a 10-coordinate geometry to six equivalent Li and four equivalent Tm atoms. There are two shorter (3.22 Å) and two longer (3.24 Å) Li–Tm bond lengths. Tm is bonded to twelve Li atoms to form a mixture of corner and face-sharing TmLi12 cuboctahedra.