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DOE OSTI2020

Materials Data on AgHg3SbO6 by Materials Project

AgHg3SbO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ag1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Ag–O bond lengths are 2.58 Å. Hg2+ is bonded in a distorted linear geometry to six equivalent O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.98 Å. Sb5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.03 Å. O2- is bonded in a 2-coordinate geometry to one Ag1+, three equivalent Hg2+, and one Sb5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ag5HgSbO6 by Materials Project

Ag5HgSbO6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.31 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. Hg2+ is bonded to six equivalent O2- atoms to form distorted HgO6 octahedra that share edges with three equivalent SbO6 octahedra. All Hg–O bond lengths are 2.42 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share edges with three equivalent HgO6 octahedra. All Sb–O bond lengths are 2.05 Å. O2- is bonded to two Ag1+, one Hg2+, and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OAg2HgSb tetrahedra.

36 MATERIALS SCIENCE↗