Materials Data on Dy5Pt4 by Materials Project

Abstract

Dy5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to six Pt atoms to form a mixture of distorted edge, face, and corner-sharing DyPt6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Dy–Pt bond distances ranging from 2.90–3.04 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Dy–Pt bond distances ranging from 2.94–3.63 Å. In the third Dy site, Dy is bonded to six Pt atoms to form a mixture of face and corner-sharing DyPt6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Dy–Pt bond distances ranging from 2.83–3.10 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Dy and one Pt atom. The Pt–Pt bond length is 2.80 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to eight Dy atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Dy and one Pt atom.