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DOE OSTI · 1700711

Materials Data on PmHg3 by Materials Project

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Abstract

PmHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a distorted body-centered cubic geometry to fourteen Hg atoms. There are eight shorter (3.18 Å) and six longer (3.68 Å) Pm–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Pm and four equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing HgPm4Hg4 tetrahedra. All Hg–Hg bond lengths are 3.18 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to six equivalent Pm and eight equivalent Hg atoms.

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36 MATERIALS SCIENCEcrystal structureHg-PmPmHg3

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2020-05-02. Materials Data on PmHg3 by Materials Project. https://doi.org/10.17188/1700711

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