Materials Data on Ho(SiPt)2 by Materials Project

Abstract

HoPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.20 Å) and four longer (3.26 Å) Ho–Pt bond lengths. There are four shorter (3.19 Å) and four longer (3.21 Å) Ho–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Ho and five Si atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded to four equivalent Ho and four equivalent Si atoms to form distorted PtHo4Si4 tetrahedra that share corners with twelve equivalent SiHo4Pt4 tetrahedra, edges with two equivalent SiHo4Pt4 tetrahedra, edges with four equivalent PtHo4Si4 tetrahedra, and faces with four equivalent PtHo4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ho and five Pt atoms. In the second Si site, Si is bonded to four equivalent Ho and four equivalent Pt atoms to form distorted SiHo4Pt4 tetrahedra that share corners with twelve equivalent PtHo4Si4 tetrahedra, edges with two equivalent PtHo4Si4 tetrahedra, edges with four equivalent SiHo4Pt4 tetrahedra, and faces with four equivalent SiHo4Pt4 tetrahedra.