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DOE OSTI · 1681441

Materials Data on TiBe12 by Materials Project

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Abstract

Be12Ti crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Ti atoms. There are a spread of Be–Be bond distances ranging from 2.07–2.23 Å. Both Be–Ti bond lengths are 2.79 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ti atoms to form a mixture of distorted corner, edge, and face-sharing BeTi2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.26–2.34 Å. Both Be–Ti bond lengths are 2.62 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Ti atom. The Be–Be bond length is 2.19 Å. The Be–Ti bond length is 2.57 Å. Ti is bonded in a 12-coordinate geometry to twenty Be atoms.

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36 MATERIALS SCIENCEBe-Ticrystal structureTiBe12

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2020-05-03. Materials Data on TiBe12 by Materials Project. https://doi.org/10.17188/1681441

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