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DOE OSTI · 1191893

Materials Data on TiAlAu by Materials Project

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Abstract

TiAlAu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, six equivalent Au, and six equivalent Al atoms. Both Ti–Ti bond lengths are 2.88 Å. All Ti–Au bond lengths are 2.95 Å. All Ti–Al bond lengths are 2.95 Å. Au is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Al atoms. There are three shorter (2.58 Å) and two longer (2.88 Å) Au–Al bond lengths. Al is bonded to six equivalent Ti and five equivalent Au atoms to form a mixture of distorted corner and face-sharing AlTi6Au5 trigonal bipyramids.

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36 MATERIALS SCIENCEAl-Au-Ticrystal structureTiAlAu

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2020-07-16. Materials Data on TiAlAu by Materials Project. https://doi.org/10.17188/1191893

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