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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ag3O4 by Materials Project

Ag3O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag+2.67+ sites. In the first Ag+2.67+ site, Ag+2.67+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.07 Å) and three longer (2.09 Å) Ag–O bond lengths. In the second Ag+2.67+ site, Ag+2.67+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.09 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Ag+2.67+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ag+2.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrSi(Ag3O4)2 by Materials Project

CrSi(Ag3O4)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.68 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.23 Å) and two longer (2.52 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.44 Å) and two longer (2.46 Å) Ag–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and three Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3PO4 by Materials Project

Ag3PO4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional and consists of two phosphine molecules and one Ag3O4 framework. In the Ag3O4 framework, Ag1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.13 Å. O2- is bonded in a trigonal planar geometry to three equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗