Materials Data on Lu2NiSn6 by Materials Project

Abstract

Lu2NiSn6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Lu–Sn bond distances ranging from 3.15–3.43 Å. Ni is bonded in a body-centered cubic geometry to eight Sn atoms. There are four shorter (2.70 Å) and four longer (2.71 Å) Ni–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Lu and two equivalent Ni atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Lu and two equivalent Ni atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Lu and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å.