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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HgN6 by Materials Project

HgN6 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to five N+0.33- atoms. There are a spread of Hg–N bond distances ranging from 2.08–3.02 Å. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.16 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted bent 150 degrees geometry to one Hg2+ and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the fifth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.16 Å. In the sixth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one N+0.33- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgN3 by Materials Project

HgN3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg1+ is bonded in a distorted single-bond geometry to four N+0.33- atoms. There are a spread of Hg–N bond distances ranging from 2.18–3.14 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.16 Å) and one longer (1.22 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to three equivalent Hg1+ and one N+0.33- atom. In the third N+0.33- site, N+0.33- is bonded in a distorted bent 120 degrees geometry to one Hg1+ and one N+0.33- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgN by Materials Project

HgN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent N2- atoms to form corner-sharing HgN4 tetrahedra. There are one shorter (2.20 Å) and three longer (2.27 Å) Hg–N bond lengths. N2- is bonded to four equivalent Hg2+ atoms to form corner-sharing NHg4 tetrahedra.

36 MATERIALS SCIENCE↗