Materials Data on Dy3(Si3Pd10)2 by Materials Project

Abstract

Dy3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Dy–Pd bond lengths are 2.85 Å. In the second Dy site, Dy is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Dy–Pd bond lengths are 3.01 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Dy and three equivalent Si atoms to form a mixture of edge and corner-sharing PdDySi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Dy and two equivalent Si atoms. Both Pd–Si bond lengths are 2.43 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.