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DOE OSTI · 1316427

Materials Data on Na3Re by Materials Project

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Abstract

Na3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Re4 tetrahedra. All Na–Na bond lengths are 3.23 Å. All Na–Re bond lengths are 3.23 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Re atoms. All Na–Re bond lengths are 3.73 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Na atoms.

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36 MATERIALS SCIENCEcrystal structureNa-ReNa3Re

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2020-05-03. Materials Data on Na3Re by Materials Project. https://doi.org/10.17188/1316427

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