Materials Data on SrCrPd2 by Materials Project

Abstract

SrCrPd2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to four equivalent Cr and ten Pd atoms. All Sr–Cr bond lengths are 2.97 Å. There are four shorter (2.97 Å) and six longer (3.43 Å) Sr–Pd bond lengths. Cr is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Pd atoms. All Cr–Pd bond lengths are 2.97 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Sr and four equivalent Pd atoms to form distorted PdSr4Pd4 tetrahedra that share corners with twelve equivalent PdSr6Cr4Pd4 tetrahedra, edges with twelve equivalent PdSr4Pd4 tetrahedra, and faces with four equivalent PdSr6Cr4Pd4 tetrahedra. All Pd–Pd bond lengths are 2.97 Å. In the second Pd site, Pd is bonded to six equivalent Sr, four equivalent Cr, and four equivalent Pd atoms to form distorted PdSr6Cr4Pd4 tetrahedra that share corners with eighteen PdSr4Pd4 tetrahedra and faces with sixteen PdSr6Cr4Pd4 tetrahedra.