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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Na3Hg by Materials Project

Na3Hg is alpha bismuth trifluoride structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. There are six shorter (3.35 Å) and two longer (3.38 Å) Na–Na bond lengths. In the second Na site, Na is bonded to four equivalent Na and four equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Hg4 tetrahedra. There are one shorter (3.29 Å) and three longer (3.38 Å) Na–Hg bond lengths. Hg is bonded in a body-centered cubic geometry to eight equivalent Na atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Hg by Materials Project

Na3Hg crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a distorted see-saw-like geometry to four equivalent Hg atoms. There are two shorter (3.37 Å) and two longer (3.54 Å) Na–Hg bond lengths. Hg is bonded to twelve equivalent Na atoms to form a mixture of face and corner-sharing HgNa12 cuboctahedra.

36 MATERIALS SCIENCE↗