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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AgHg2NO5 by Materials Project

AgHg2NO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.28–2.99 Å. Hg2+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) Hg–O bond lengths. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.28 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two equivalent Hg2+ atoms. In the third O2- site, O2- is bonded to two equivalent Ag1+ and two equivalent Hg2+ atoms to form distorted corner-sharing OAg2Hg2 tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag6HgNO11 by Materials Project

Ag6HgNO11 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a 4-coordinate geometry to five O2- atoms. There are four shorter (2.11 Å) and one longer (2.71 Å) Ag–O bond lengths. In the second Ag+2.50+ site, Ag+2.50+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.10 Å) Ag–O bond lengths. In the third Ag+2.50+ site, Ag+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.72 Å. Hg2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (2.49 Å) Hg–O bond lengths. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag+2.50+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OAg3Hg tetrahedra. In the second O2- site, O2- is bonded to three Ag+2.50+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OAg3Hg tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ag+2.50+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Ag+2.50+ and one N5+ atom.

36 MATERIALS SCIENCE↗