Materials Data on Tm3Ga5Ni by Materials Project

Abstract

Tm3NiGa5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to one Ni and ten Ga atoms. The Tm–Ni bond length is 2.79 Å. There are four shorter (2.94 Å) and six longer (3.20 Å) Tm–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tm, two equivalent Ni, and four Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaTm6Ga4Ni2 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Ga atoms.