Materials Data on Tm5Pb4 by Materials Project

Abstract

Tm5Pb4 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 Pb atoms to form a mixture of distorted corner, edge, and face-sharing TmPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Tm–Pb bond distances ranging from 3.07–3.26 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Tm–Pb bond distances ranging from 3.12–3.85 Å. In the third Tm site, Tm is bonded to six Pb atoms to form a mixture of corner and face-sharing TmPb6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Tm–Pb bond distances ranging from 3.09–3.24 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Tm atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Tm atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Tm atoms.