Materials Data on Sc(MnSn)6 by Materials Project
ScMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to eight Sn atoms to form distorted edge-sharing ScSn8 hexagonal bipyramids. There are two shorter (2.93 Å) and six longer (3.12 Å) Sc–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to one Sc and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Mn atoms.
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