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Materials Data on Sc(MnGe)6 by Materials Project

ScMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to eight Ge atoms to form distorted edge-sharing ScGe8 hexagonal bipyramids. There are two shorter (2.74 Å) and six longer (2.96 Å) Sc–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Sc, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sc2MnGe by Materials Project

Sc2MnGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent Ge atoms to form distorted edge-sharing ScSc4Ge4 tetrahedra. All Sc–Sc bond lengths are 2.80 Å. All Sc–Ge bond lengths are 2.80 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent Ge atoms. All Sc–Mn bond lengths are 2.80 Å. All Sc–Ge bond lengths are 3.23 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Ge atoms. All Mn–Ge bond lengths are 2.80 Å. Ge is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sc2MnGe by Materials Project

Sc2MnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Sc–Mn bond lengths are 2.87 Å. All Sc–Ge bond lengths are 2.87 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗