Materials Data on EuSi3Ni by Materials Project

Abstract

EuNiSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu2+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing EuSi12 cuboctahedra. There are a spread of Eu–Si bond distances ranging from 3.05–3.21 Å. Ni2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.30 Å) and four longer (2.31 Å) Ni–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four equivalent Eu2+, two equivalent Ni2+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.56 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Eu2+, one Ni2+, and four equivalent Si+1.33- atoms.