Materials Data on Tb3Ga9Pt2 by Materials Project

Abstract

Tb3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Ga atoms to form TbGa12 cuboctahedra that share edges with two equivalent GaTb4Ga4Pt4 cuboctahedra and faces with two equivalent TbGa12 cuboctahedra. There are eight shorter (3.17 Å) and four longer (3.22 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 10-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Tb–Pt bond lengths are 3.07 Å. There are a spread of Tb–Ga bond distances ranging from 3.08–3.41 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Tb and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.83 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Tb, four equivalent Pt, and four equivalent Ga atoms to form GaTb4Ga4Pt4 cuboctahedra that share edges with two equivalent TbGa12 cuboctahedra and faces with two equivalent GaTb4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.73 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.53–2.70 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Tb, two equivalent Pt, and four Ga atoms.