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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn4Ge6Ir7 by Materials Project

Mn4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Mn is bonded to six equivalent Ir and six equivalent Ge atoms to form MnGe6Ir6 cuboctahedra that share corners with twelve equivalent MnGe6Ir6 cuboctahedra, faces with six equivalent MnGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Mn–Ir bond lengths are 2.86 Å. All Mn–Ge bond lengths are 2.89 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Mn and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.56 Å. In the second Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent MnGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Mn and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3GeIr by Materials Project

Mn3IrGe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to six equivalent Mn, three equivalent Ir, and three equivalent Ge atoms. There are a spread of Mn–Mn bond distances ranging from 2.76–2.79 Å. There are a spread of Mn–Ir bond distances ranging from 2.68–2.82 Å. There are a spread of Mn–Ge bond distances ranging from 2.64–2.84 Å. Ir is bonded to nine equivalent Mn and three equivalent Ge atoms to form IrMn9Ge3 cuboctahedra that share corners with six equivalent IrMn9Ge3 cuboctahedra, corners with nine equivalent GeMn9Ir3 cuboctahedra, faces with four equivalent GeMn9Ir3 cuboctahedra, and faces with six equivalent IrMn9Ge3 cuboctahedra. All Ir–Ge bond lengths are 2.48 Å. Ge is bonded to nine equivalent Mn and three equivalent Ir atoms to form GeMn9Ir3 cuboctahedra that share corners with six equivalent GeMn9Ir3 cuboctahedra, corners with nine equivalent IrMn9Ge3 cuboctahedra, faces with four equivalent IrMn9Ge3 cuboctahedra, and faces with six equivalent GeMn9Ir3 cuboctahedra.

36 MATERIALS SCIENCE↗