Materials Data on NiGePd by Materials Project

Abstract

PdNiGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pd is bonded in a 5-coordinate geometry to four equivalent Ni and five equivalent Ge atoms. All Pd–Ni bond lengths are 2.91 Å. There are one shorter (2.49 Å) and four longer (2.67 Å) Pd–Ge bond lengths. Ni is bonded to four equivalent Pd, four equivalent Ni, and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing NiNi4Ge4Pd4 cuboctahedra. All Ni–Ni bond lengths are 2.57 Å. All Ni–Ge bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Pd and four equivalent Ni atoms.