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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgCuGe by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Cu3Ge by Materials Project

Mg2Cu3Ge is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to nine equivalent Cu and three equivalent Ge atoms. There are three shorter (2.87 Å) and six longer (2.93 Å) Mg–Cu bond lengths. All Mg–Ge bond lengths are 2.95 Å. Cu is bonded to six equivalent Mg, four equivalent Cu, and two equivalent Ge atoms to form CuMg6Cu4Ge2 cuboctahedra that share corners with four equivalent GeMg6Cu6 cuboctahedra, corners with fourteen equivalent CuMg6Cu4Ge2 cuboctahedra, edges with six equivalent CuMg6Cu4Ge2 cuboctahedra, faces with six equivalent GeMg6Cu6 cuboctahedra, and faces with twelve equivalent CuMg6Cu4Ge2 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.59 Å) Cu–Cu bond lengths. Both Cu–Ge bond lengths are 2.49 Å. Ge is bonded to six equivalent Mg and six equivalent Cu atoms to form GeMg6Cu6 cuboctahedra that share corners with twelve equivalent CuMg6Cu4Ge2 cuboctahedra, edges with six equivalent GeMg6Cu6 cuboctahedra, faces with two equivalent GeMg6Cu6 cuboctahedra, and faces with eighteen equivalent CuMg6Cu4Ge2 cuboctahedra.

36 MATERIALS SCIENCE↗