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DOE OSTI · 1719297

Materials Data on Ti5Ga3 by Materials Project

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Abstract

Ti5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ti–Ga bond distances ranging from 2.71–2.89 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Ga atoms. Both Ti–Ti bond lengths are 2.49 Å. All Ti–Ga bond lengths are 2.70 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Ti atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.49 Å.

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36 MATERIALS SCIENCEcrystal structureGa-TiTi5Ga3

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2019-01-11. Materials Data on Ti5Ga3 by Materials Project. https://doi.org/10.17188/1719297

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