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DOE OSTI · 1652669

Materials Data on Ti5MnSn3 by Materials Project

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Abstract

Ti5MnSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to two equivalent Mn and five equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing TiMn2Sn5 pentagonal bipyramids. Both Ti–Mn bond lengths are 2.45 Å. There are a spread of Ti–Sn bond distances ranging from 2.85–3.01 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and six equivalent Sn atoms. Both Ti–Ti bond lengths are 2.74 Å. All Ti–Sn bond lengths are 2.88 Å. Mn is bonded to six equivalent Ti atoms to form distorted face-sharing MnTi6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Ti atoms.

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36 MATERIALS SCIENCEcrystal structureMn-Sn-TiTi5MnSn3

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2020-07-15. Materials Data on Ti5MnSn3 by Materials Project. https://doi.org/10.17188/1652669

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