Materials Data on Lu3Ni2Ge3 by Materials Project

Abstract

Lu3Ni2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to four equivalent Ni and seven Ge atoms. There are a spread of Lu–Ni bond distances ranging from 2.92–3.13 Å. There are a spread of Lu–Ge bond distances ranging from 2.94–3.12 Å. In the second Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Ni and five Ge atoms. All Lu–Ni bond lengths are 3.01 Å. There are a spread of Lu–Ge bond distances ranging from 2.92–2.99 Å. Ni is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Lu, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Ni atoms.