Materials Data on NiPPd by Materials Project

Abstract

PdNiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pd2+ is bonded to five P3- atoms to form distorted PdP5 trigonal bipyramids that share corners with six equivalent NiP4 tetrahedra, corners with ten equivalent PdP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent PdP5 trigonal bipyramids. There are one shorter (2.44 Å) and four longer (2.58 Å) Pd–P bond lengths. Ni1+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with ten equivalent NiP4 tetrahedra, corners with six equivalent PdP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent PdP5 trigonal bipyramids. There are two shorter (2.29 Å) and two longer (2.38 Å) Ni–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a distorted trigonal planar geometry to six equivalent Pd2+ and three equivalent Ni1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Pd2+ and six equivalent Ni1+ atoms.