Materials Data on Mn2Sn by Materials Project
Mn2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 8-coordinate geometry to eight Mn and six equivalent Sn atoms. There are two shorter (2.75 Å) and six longer (2.94 Å) Mn–Mn bond lengths. All Mn–Sn bond lengths are 2.94 Å. In the second Mn site, Mn is bonded to six equivalent Mn and five equivalent Sn atoms to form a mixture of corner and face-sharing MnMn6Sn5 trigonal bipyramids. There are three shorter (2.60 Å) and two longer (2.75 Å) Mn–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to eleven Mn atoms.
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