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DOE OSTI · 1317447

Materials Data on Ti3Sn by Materials Project

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Abstract

Ti3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Sn4 tetrahedra. All Ti–Ti bond lengths are 2.86 Å. All Ti–Sn bond lengths are 2.86 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Sn atoms. All Ti–Sn bond lengths are 3.31 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

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36 MATERIALS SCIENCEcrystal structureSn-TiTi3Sn

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2020-07-24. Materials Data on Ti3Sn by Materials Project. https://doi.org/10.17188/1317447

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