Materials Data on Dy(GePt)2 by Materials Project

Abstract

Dy(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Dy–Pt bond distances ranging from 3.21–3.35 Å. There are a spread of Dy–Ge bond distances ranging from 3.13–3.48 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.43–2.54 Å. In the second Pt site, Pt is bonded to four equivalent Dy and four equivalent Ge atoms to form distorted PtDy4Ge4 tetrahedra that share corners with twelve equivalent GeDy4Pt4 tetrahedra, edges with two equivalent GeDy4Pt4 tetrahedra, edges with four equivalent PtDy4Ge4 tetrahedra, and faces with four equivalent PtDy4Ge4 tetrahedra. There are a spread of Pt–Ge bond distances ranging from 2.55–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Dy and five Pt atoms. In the second Ge site, Ge is bonded to four equivalent Dy and four equivalent Pt atoms to form distorted GeDy4Pt4 tetrahedra that share corners with twelve equivalent PtDy4Ge4 tetrahedra, edges with two equivalent PtDy4Ge4 tetrahedra, edges with four equivalent GeDy4Pt4 tetrahedra, and faces with four equivalent GeDy4Pt4 tetrahedra.