Materials Data on Lu5(In2Ni)2 by Materials Project

Abstract

Lu5Ni2In4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Lu–Ni bond lengths are 2.70 Å. There are a spread of Lu–In bond distances ranging from 3.11–3.35 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. There are two shorter (2.85 Å) and two longer (2.88 Å) Lu–Ni bond lengths. There are a spread of Lu–In bond distances ranging from 3.19–3.31 Å. In the third Lu site, Lu is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.15 Å) and four longer (3.27 Å) Lu–In bond lengths. Ni is bonded in a 9-coordinate geometry to six Lu and three In atoms. There are a spread of Ni–In bond distances ranging from 2.79–3.25 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. In the second In site, In is bonded in a 9-coordinate geometry to eight Lu and two equivalent Ni atoms.