Materials Data on Dy(SiPt)2 by Materials Project

Abstract

Dy(PtSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.20 Å) and four longer (3.27 Å) Dy–Pt bond lengths. There are four shorter (3.19 Å) and four longer (3.21 Å) Dy–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Dy and four equivalent Si atoms to form distorted PtDy4Si4 tetrahedra that share corners with twelve equivalent SiDy4Pt4 tetrahedra, edges with two equivalent SiDy4Pt4 tetrahedra, edges with four equivalent PtDy4Si4 tetrahedra, and faces with four equivalent PtDy4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Dy and five Si atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Dy and four equivalent Pt atoms to form distorted SiDy4Pt4 tetrahedra that share corners with twelve equivalent PtDy4Si4 tetrahedra, edges with two equivalent PtDy4Si4 tetrahedra, edges with four equivalent SiDy4Pt4 tetrahedra, and faces with four equivalent SiDy4Pt4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Dy and five Pt atoms.