Materials Data on LuNiGe3 by Materials Project

Abstract

LuNiGe3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Lu–Ni bond lengths are 3.13 Å. There are a spread of Lu–Ge bond distances ranging from 3.06–3.18 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.27–2.35 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Lu, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.48 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Lu, two equivalent Ni, and five Ge atoms. There are one shorter (2.47 Å) and four longer (2.87 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Lu, two equivalent Ni, and five Ge atoms. The Ge–Ge bond length is 2.49 Å.