Materials Data on Li2La2Si3 by Materials Project

Abstract

La2Li2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent La and four Si atoms to form a mixture of distorted edge, face, and corner-sharing LiLa3Si4 tetrahedra. All Li–La bond lengths are 3.16 Å. There are a spread of Li–Si bond distances ranging from 2.63–2.77 Å. There are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of La–Si bond distances ranging from 3.15–3.28 Å. In the second La site, La is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. All La–Si bond lengths are 3.20 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six La, and two equivalent Si atoms. There are one shorter (2.39 Å) and one longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three La atoms.