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DOE OSTI · 1683403

Materials Data on Sm(MnSn)6 by Materials Project

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Abstract

SmMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded to eight Sn atoms to form distorted edge-sharing SmSn8 hexagonal bipyramids. There are two shorter (3.03 Å) and six longer (3.16 Å) Sm–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 2.75–2.84 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sm 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 8-coordinate geometry to one Sm, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.99 Å.

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36 MATERIALS SCIENCEcrystal structureMn-Sm-SnSm(MnSn)6

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2020-06-04. Materials Data on Sm(MnSn)6 by Materials Project. https://doi.org/10.17188/1683403

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