Materials Data on Sr3Li2 by Materials Project

Abstract

Li2Sr3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Li is bonded in a 10-coordinate geometry to two equivalent Li and eight Sr atoms. There are one shorter (3.10 Å) and one longer (3.18 Å) Li–Li bond lengths. There are a spread of Li–Sr bond distances ranging from 3.63–3.96 Å. There are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Li and four equivalent Sr atoms. All Sr–Sr bond lengths are 4.30 Å. In the second Sr site, Sr is bonded in a 4-coordinate geometry to four equivalent Li and ten Sr atoms. There are four shorter (4.10 Å) and two longer (4.37 Å) Sr–Sr bond lengths. In the third Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Li and four equivalent Sr atoms.