Materials Data on Li2Sm2Si3 by Materials Project
Li2Sm2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Sm and four Si atoms to form a mixture of distorted edge, face, and corner-sharing LiSm3Si4 tetrahedra. All Li–Sm bond lengths are 3.08 Å. There are a spread of Li–Si bond distances ranging from 2.57–2.67 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Sm–Si bond distances ranging from 3.06–3.21 Å. In the second Sm site, Sm 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 (3.14 Å) Sm–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 Sm, and two equivalent Si atoms. There are one shorter (2.37 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 Sm atoms.