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DOE OSTI · 1202690

Materials Data on Na4HgP2 by Materials Project

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Abstract

Na4HgP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NaP4 tetrahedra. There are one shorter (2.93 Å) and three longer (3.02 Å) Na–P bond lengths. In the second Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Na–P bond lengths are 2.97 Å. Hg2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Hg–P bond lengths are 2.42 Å. P3- is bonded in a body-centered cubic geometry to seven Na1+ and one Hg2+ atom.

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36 MATERIALS SCIENCEcrystal structureHg-Na-PNa4HgP2

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2020-07-16. Materials Data on Na4HgP2 by Materials Project. https://doi.org/10.17188/1202690

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