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DOE OSTI · 1736455

Materials Data on NaHg3 by Materials Project

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Abstract

NaHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to fourteen Hg atoms. There are eight shorter (3.24 Å) and six longer (3.74 Å) Na–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Na and four equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing HgNa4Hg4 tetrahedra. All Hg–Hg bond lengths are 3.24 Å. In the second Hg site, Hg is bonded in a distorted body-centered cubic geometry to six equivalent Na and eight equivalent Hg atoms.

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36 MATERIALS SCIENCEcrystal structureHg-NaNaHg3

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2020-05-03. Materials Data on NaHg3 by Materials Project. https://doi.org/10.17188/1736455

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