Materials Data on Tm3Ga9Pt2 by Materials Project

Abstract

Tm3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Ga atoms to form distorted TmGa12 cuboctahedra that share edges with two equivalent GaTm4Ga4Pt4 cuboctahedra and faces with two equivalent TmGa12 cuboctahedra. There are eight shorter (3.12 Å) and four longer (3.26 Å) Tm–Ga bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Tm–Pt bond lengths are 3.04 Å. There are a spread of Tm–Ga bond distances ranging from 3.08–3.50 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Tm and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.58–2.87 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Tm, four equivalent Pt, and four equivalent Ga atoms to form GaTm4Ga4Pt4 cuboctahedra that share edges with two equivalent TmGa12 cuboctahedra and faces with two equivalent GaTm4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.72 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–2.66 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Tm, two equivalent Pt, and four Ga atoms.