Materials Data on Hf(MnSn)6 by Materials Project

Abstract

Hf(MnSn)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to eight Sn atoms to form distorted edge-sharing HfSn8 hexagonal bipyramids. There are two shorter (2.93 Å) and six longer (3.12 Å) Hf–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 2.71–2.79 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Hf 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 7-coordinate geometry to one Hf and six equivalent Mn atoms.