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DOE OSTI · 1274803

Materials Data on Be12Nb by Materials Project

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Abstract

Be12Nb 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 Nb atoms. There are a spread of Be–Be bond distances ranging from 2.13–2.34 Å. Both Be–Nb bond lengths are 2.64 Å. In the second Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Nb atom. There are one shorter (2.16 Å) and four longer (2.24 Å) Be–Be bond lengths. The Be–Nb bond length is 2.58 Å. In the third Be site, Be is bonded to ten Be and two equivalent Nb atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Nb2 cuboctahedra. Both Be–Be bond lengths are 2.11 Å. Both Be–Nb bond lengths are 2.79 Å. Nb is bonded in a 12-coordinate geometry to twenty Be atoms.

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36 MATERIALS SCIENCEBe-NbBe12Nbcrystal structure

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2020-07-16. Materials Data on Be12Nb by Materials Project. https://doi.org/10.17188/1274803

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