Materials Data on Ga3Pt5 by Materials Project

Abstract

Ga3Pt5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Pt+1.20- and four equivalent Ga2+ atoms. All Pt–Pt bond lengths are 2.78 Å. All Pt–Ga bond lengths are 2.65 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to six Pt+1.20- and six Ga2+ atoms to form a mixture of distorted corner and face-sharing PtGa6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. There are four shorter (2.76 Å) and two longer (2.78 Å) Pt–Ga bond lengths. In the third Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to four equivalent Pt+1.20- and six Ga2+ atoms. There are two shorter (2.54 Å) and four longer (2.81 Å) Pt–Ga bond lengths. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a body-centered cubic geometry to eight Pt+1.20- atoms. In the second Ga2+ site, Ga2+ is bonded in a distorted q6 geometry to ten Pt+1.20- atoms.