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DOE OSTI · 1716159

Materials Data on AcNb3 by Materials Project

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Abstract

AcNb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms. There are eight shorter (3.06 Å) and six longer (3.53 Å) Ac–Nb bond lengths. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to four equivalent Ac and four equivalent Nb atoms to form a mixture of distorted face, edge, and corner-sharing NbAc4Nb4 tetrahedra. All Nb–Nb bond lengths are 3.06 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to six equivalent Ac and eight equivalent Nb atoms.

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36 MATERIALS SCIENCEAc-NbAcNb3crystal structure

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2020-05-02. Materials Data on AcNb3 by Materials Project. https://doi.org/10.17188/1716159

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