Materials Data on Er5Pt4 by Materials Project

Abstract

Er5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.81–3.00 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.94–3.31 Å. In the third Er site, Er is bonded to six Pt atoms to form distorted corner-sharing ErPt6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Er–Pt bond distances ranging from 2.78–3.17 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Er and one Pt atom. The Pt–Pt bond length is 2.78 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to eight Er atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Er and one Pt atom.