Materials Data on Lu6Ni2Sn by Materials Project

Abstract

Lu6Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to three Ni and one Sn atom. There are one shorter (2.66 Å) and two longer (2.84 Å) Lu–Ni bond lengths. The Lu–Sn bond length is 3.30 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three Ni and two Sn atoms. There are two shorter (2.85 Å) and one longer (3.09 Å) Lu–Ni bond lengths. There are one shorter (3.17 Å) and one longer (3.54 Å) Lu–Sn bond lengths. In the third Lu site, Lu is bonded in a distorted rectangular see-saw-like geometry to two Ni and two Sn atoms. There are one shorter (2.69 Å) and one longer (3.10 Å) Lu–Ni bond lengths. There are one shorter (3.04 Å) and one longer (3.28 Å) Lu–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to eight Lu atoms. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. The Ni–Ni bond length is 2.48 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted body-centered cubic geometry to eight Lu atoms. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve Lu atoms.