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DOE OSTI · 1695125

Materials Data on TiPb3 by Materials Project

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Abstract

TiPb3 is beta Cu3Ti-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti is bonded to twelve Pb atoms to form a mixture of corner and face-sharing TiPb12 cuboctahedra. There are a spread of Ti–Pb bond distances ranging from 3.26–3.47 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to four equivalent Ti and eight equivalent Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.18–3.51 Å. In the second Pb site, Pb is bonded in a 12-coordinate geometry to four equivalent Ti and eight Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.17–3.51 Å.

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36 MATERIALS SCIENCEcrystal structurePb-TiTiPb3

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2019-01-11. Materials Data on TiPb3 by Materials Project. https://doi.org/10.17188/1695125

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