Materials Data on LaSi2Ni by Materials Project

Abstract

LaNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All La–Ni bond lengths are 3.20 Å. There are a spread of La–Si bond distances ranging from 3.13–3.26 Å. Ni is bonded in a 9-coordinate geometry to four equivalent La and five Si atoms. There are three shorter (2.34 Å) and two longer (2.40 Å) Ni–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ni atoms.