Materials Data on TmNiSn4 by Materials Project

Abstract

TmNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.20–3.42 Å. Ni is bonded in a distorted body-centered cubic geometry to one Ni and eight Sn atoms. The Ni–Ni bond length is 2.86 Å. There are a spread of Ni–Sn bond distances ranging from 2.62–2.79 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Ni, and five Sn atoms. There are one shorter (3.06 Å) and four longer (3.15 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Tm and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.98 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Ni, and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.