Materials Data on YSi3Ni by Materials Project

Abstract

YNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Y3+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Y–Si bond distances ranging from 2.98–3.10 Å. Ni1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are three shorter (2.27 Å) and two longer (2.28 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 Y3+, two equivalent Ni1+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.79 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 Y3+, one Ni1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.39 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Y3+, two equivalent Ni1+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.