Materials Data on SmSi3Ni by Materials Project

Abstract

SmNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm2+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Sm–Si bond distances ranging from 3.01–3.14 Å. Ni2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are two shorter (2.29 Å) and three longer (2.30 Å) Ni–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Sm2+, two equivalent Ni2+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.83 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Sm2+, one Ni2+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.42 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Sm2+, two equivalent Ni2+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.