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DOE OSTI2020

Materials Data on Ag2HgO2 by Materials Project

Ag2HgO2 crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Ag–O bond lengths. Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.09 Å) and two longer (2.62 Å) Hg–O bond lengths. O2- is bonded to two equivalent Ag1+ and two equivalent Hg2+ atoms to form corner-sharing OAg2Hg2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgHgO2 by Materials Project

AgHgO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.16 Å) and two longer (2.18 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) Ag–O bond lengths. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.08 Å) and two longer (2.72 Å) Hg–O bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.77 Å) Hg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag2+ and two Hg2+ atoms to form a mixture of distorted corner and edge-sharing OAg2Hg2 tetrahedra. In the second O2- site, O2- is bonded to two Ag2+ and two Hg2+ atoms to form a mixture of distorted corner and edge-sharing OAg2Hg2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgHgO2 by Materials Project

AgHgO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Ag–O bond lengths. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.06 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag2+ and one Hg2+ atom.

36 MATERIALS SCIENCE↗