Materials Data on LuNiGe2 by Materials Project

Abstract

LuNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Lu–Ni bond lengths are 3.11 Å. There are a spread of Lu–Ge bond distances ranging from 3.13–3.28 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.07 Å) and two longer (3.18 Å) Lu–Ni bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.87–2.92 Å. Ni is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.34–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Lu, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Lu, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.43 Å.