Materials Data on Lu6Co2Sn by Materials Project

Abstract

Lu6Co2Sn 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 distorted rectangular see-saw-like geometry to two Co and two Sn atoms. There are one shorter (2.70 Å) and one longer (3.07 Å) Lu–Co bond lengths. There are one shorter (3.03 Å) and one longer (3.24 Å) Lu–Sn bond lengths. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three Co and two Sn atoms. There are two shorter (2.85 Å) and one longer (3.11 Å) Lu–Co bond lengths. There are one shorter (3.14 Å) and one longer (3.55 Å) Lu–Sn bond lengths. In the third Lu site, Lu is bonded in a 4-coordinate geometry to three Co and one Sn atom. There are one shorter (2.67 Å) and two longer (2.80 Å) Lu–Co bond lengths. The Lu–Sn bond length is 3.33 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Lu and one Co atom. The Co–Co bond length is 2.56 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Lu and one Co atom. The Co–Co bond length is 2.23 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Lu atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Lu atoms.