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DOE OSTI · 1316264

Materials Data on Ti3Si by Materials Project

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Abstract

Ti3Si crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Ti–Si bond distances ranging from 2.59–2.67 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are a spread of Ti–Si bond distances ranging from 2.56–2.62 Å. In the third Ti site, Ti is bonded in a 2-coordinate geometry to two equivalent Si atoms. There are one shorter (2.59 Å) and one longer (2.65 Å) Ti–Si bond lengths. Si is bonded in a 9-coordinate geometry to nine Ti atoms.

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36 MATERIALS SCIENCEcrystal structureSi-TiTi3Si

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2020-07-23. Materials Data on Ti3Si by Materials Project. https://doi.org/10.17188/1316264

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