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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn10CuGe5 by Materials Project

Mn10CuGe5 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Ge atoms. All Mn–Ge bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to one Cu and five Ge atoms. The Mn–Cu bond length is 2.55 Å. There are a spread of Mn–Ge bond distances ranging from 2.49–2.76 Å. Cu is bonded in a distorted q6 geometry to eight equivalent Mn and two equivalent Ge atoms. Both Cu–Ge bond lengths are 2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the second Ge site, Ge is bonded in a distorted q6 geometry to eight equivalent Mn and two equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2Cu3Ge by Materials Project

Mn2Cu3Ge is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to four equivalent Mn, nine equivalent Cu, and three equivalent Ge atoms. There are one shorter (2.96 Å) and three longer (2.98 Å) Mn–Mn bond lengths. There are three shorter (2.77 Å) and six longer (2.86 Å) Mn–Cu bond lengths. All Mn–Ge bond lengths are 2.87 Å. Cu is bonded to six equivalent Mn, four equivalent Cu, and two equivalent Ge atoms to form CuMn6Cu4Ge2 cuboctahedra that share corners with four equivalent GeMn6Cu6 cuboctahedra, corners with fourteen equivalent CuMn6Cu4Ge2 cuboctahedra, edges with six equivalent CuMn6Cu4Ge2 cuboctahedra, faces with six equivalent GeMn6Cu6 cuboctahedra, and faces with twelve equivalent CuMn6Cu4Ge2 cuboctahedra. There are two shorter (2.37 Å) and two longer (2.53 Å) Cu–Cu bond lengths. Both Cu–Ge bond lengths are 2.43 Å. Ge is bonded to six equivalent Mn and six equivalent Cu atoms to form GeMn6Cu6 cuboctahedra that share corners with twelve equivalent CuMn6Cu4Ge2 cuboctahedra, edges with six equivalent GeMn6Cu6 cuboctahedra, faces with two equivalent GeMn6Cu6 cuboctahedra, and faces with eighteen equivalent CuMn6Cu4Ge2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2CuGe by Materials Project

Mn2CuGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Ge atoms to form distorted edge-sharing MnMn4Ge4 tetrahedra. All Mn–Mn bond lengths are 2.58 Å. All Mn–Ge bond lengths are 2.58 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Cu, and six equivalent Ge atoms. All Mn–Cu bond lengths are 2.58 Å. All Mn–Ge bond lengths are 2.98 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.58 Å. Ge is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗