Materials Data on Tm5Pt4 by Materials Project

Abstract

Tm5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded to six Pt atoms to form a mixture of distorted corner, edge, and face-sharing TmPt6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 37–42°. There are a spread of Tm–Pt bond distances ranging from 2.83–3.00 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Tm–Pt bond distances ranging from 2.89–3.56 Å. In the third Tm site, Tm is bonded to six Pt atoms to form a mixture of corner and face-sharing TmPt6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Tm–Pt bond distances ranging from 2.81–3.03 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Tm and one Pt atom. The Pt–Pt bond length is 2.77 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to eight Tm atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Tm and one Pt atom.