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DOE OSTI · 1277299

Materials Data on Mn3Sn2 by Materials Project

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Abstract

Mn3Sn2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 11-coordinate geometry to five Mn and six Sn atoms. There are a spread of Mn–Mn bond distances ranging from 2.63–2.83 Å. There are a spread of Mn–Sn bond distances ranging from 2.69–2.98 Å. In the second Mn site, Mn is bonded to six equivalent Mn and five Sn atoms to form a mixture of distorted face and corner-sharing MnMn6Sn5 trigonal bipyramids. There are a spread of Mn–Sn bond distances ranging from 2.62–2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to nine Mn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Mn atoms.

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36 MATERIALS SCIENCEcrystal structureMn-SnMn3Sn2

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2020-05-03. Materials Data on Mn3Sn2 by Materials Project. https://doi.org/10.17188/1277299

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