Materials Data on Ho3(Si3Pd10)2 by Materials Project

Abstract

Ho3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ho–Pd bond lengths are 2.83 Å. In the second Ho site, Ho is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ho–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ho and three equivalent Si atoms to form a mixture of corner and edge-sharing PdHoSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ho 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.