Materials Data on Y(MnGe)6 by Materials Project

Abstract

YMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to eight Ge atoms to form distorted edge-sharing YGe8 hexagonal bipyramids. There are two shorter (2.81 Å) and six longer (2.99 Å) Y–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 2.52–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Y, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.