Materials Data on Mn10(SiGe)3 by Materials Project

Abstract

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.