Materials Data on Li2Ce2Si3 by Materials Project
Ce2Li2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Ce and four Si atoms to form a mixture of distorted corner, edge, and face-sharing LiCe3Si4 tetrahedra. There are two shorter (3.10 Å) and one longer (3.11 Å) Li–Ce bond lengths. There are a spread of Li–Si bond distances ranging from 2.55–2.67 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to nine Si atoms. There are five shorter (3.10 Å) and four longer (3.21 Å) Ce–Si bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. There are four shorter (3.07 Å) and two longer (3.17 Å) Ce–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six Ce, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three Ce atoms.