Materials Data on Ho3Ga9Pt2 by Materials Project

Abstract

Ho3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share edges with two equivalent GaHo4Ga4Pt4 cuboctahedra and faces with two equivalent HoGa12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.22 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded in a 10-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Ho–Pt bond lengths are 3.06 Å. There are a spread of Ho–Ga bond distances ranging from 3.08–3.39 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Ho and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.82 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ho, four equivalent Pt, and four equivalent Ga atoms to form GaHo4Ga4Pt4 cuboctahedra that share edges with two equivalent HoGa12 cuboctahedra and faces with two equivalent GaHo4Ga4Pt4 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 Ho, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.51–2.69 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Ho, two equivalent Pt, and four Ga atoms.