Materials Data on MgCuGe by Materials Project

Abstract

MgCuGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg, four equivalent Cu, and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing MgMg4Cu4Ge4 cuboctahedra. All Mg–Mg bond lengths are 2.83 Å. All Mg–Cu bond lengths are 2.76 Å. All Mg–Ge bond lengths are 2.87 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Ge atoms. There are one shorter (2.43 Å) and four longer (2.84 Å) Cu–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Cu atoms.