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DOE OSTI · 1758420

Materials Data on HgBi3 by Materials Project

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Abstract

HgBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Hg–Bi bond lengths are 3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Hg and eight Bi atoms to form a mixture of distorted corner, edge, and face-sharing BiHg4Bi8 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.61 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.

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36 MATERIALS SCIENCEBi-Hgcrystal structureHgBi3

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2020-09-03. Materials Data on HgBi3 by Materials Project. https://doi.org/10.17188/1758420

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