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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn10(SiGe)3 by Materials Project

Mn10(GeSi)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to three equivalent Ge and two equivalent Si atoms. There are two shorter (2.44 Å) and one longer (2.51 Å) Mn–Ge bond lengths. Both Mn–Si bond lengths are 2.66 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Ge and three equivalent Si atoms. Both Mn–Ge bond lengths are 2.67 Å. There are two shorter (2.42 Å) and one longer (2.54 Å) Mn–Si bond lengths. In the third Mn site, Mn is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent Si atoms. All Mn–Ge bond lengths are 2.48 Å. All Mn–Si bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to nine Mn atoms. Si is bonded in a 9-coordinate geometry to nine Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5Si2Ge by Materials Project

Mn5GeSi2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to two equivalent Ge and four Si atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Mn–Ge bond lengths. There are a spread of Mn–Si bond distances ranging from 2.43–2.47 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Ge and three Si atoms. There are one shorter (2.45 Å) and one longer (2.52 Å) Mn–Ge bond lengths. There are one shorter (2.38 Å) and two longer (2.65 Å) Mn–Si bond lengths. In the third Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Ge and three Si atoms. Both Mn–Ge bond lengths are 2.42 Å. There are one shorter (2.44 Å) and two longer (2.63 Å) Mn–Si bond lengths. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Ge and three Si atoms. Both Mn–Ge bond lengths are 2.64 Å. There are two shorter (2.41 Å) and one longer (2.52 Å) Mn–Si bond lengths. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mn–Si bond distances ranging from 2.41–2.64 Å. Ge is bonded in a 9-coordinate geometry to nine Mn atoms. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms.

36 MATERIALS SCIENCE↗