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DOE OSTI · 1187572

Materials Data on Mn5Si3 by Materials Project

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Abstract

Mn5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Mn+2.40+ sites. In the first Mn+2.40+ site, Mn+2.40+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing MnSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.40–2.62 Å. In the second Mn+2.40+ site, Mn+2.40+ is bonded in a 6-coordinate geometry to two equivalent Mn+2.40+ and six equivalent Si4- atoms. Both Mn–Mn bond lengths are 2.40 Å. All Mn–Si bond lengths are 2.43 Å. Si4- is bonded in a 9-coordinate geometry to nine Mn+2.40+ atoms.

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36 MATERIALS SCIENCEcrystal structureMn-SiMn5Si3

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2020-07-15. Materials Data on Mn5Si3 by Materials Project. https://doi.org/10.17188/1187572

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