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DOE OSTI2020

Materials Data on Ag2PbO2 by Materials Project

Ag2PbO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.12 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. Pb2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.28 Å) and two longer (2.47 Å) Pb–O bond lengths. O2- is bonded to two Ag1+ and two equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing OAg2Pb2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag5(PbO3)2 by Materials Project

Ag5Pb2O6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are two inequivalent Ag+1.20+ sites. In the first Ag+1.20+ site, Ag+1.20+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.34 Å. In the second Ag+1.20+ site, Ag+1.20+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.15 Å. Pb3+ is bonded to six equivalent O2- atoms to form edge-sharing PbO6 octahedra. All Pb–O bond lengths are 2.28 Å. O2- is bonded to two Ag+1.20+ and two equivalent Pb3+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag5(PbO3)2 by Materials Project

Ag5Pb2O6 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are three inequivalent Ag+1.20+ sites. In the first Ag+1.20+ site, Ag+1.20+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.15 Å. In the second Ag+1.20+ site, Ag+1.20+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.33 Å. In the third Ag+1.20+ site, Ag+1.20+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.36 Å. Pb3+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. All Pb–O bond lengths are 2.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.20+ and two equivalent Pb3+ atoms to form a mixture of corner and edge-sharing OAg2Pb2 tetrahedra. In the second O2- site, O2- is bonded to two Ag+1.20+ and two equivalent Pb3+ atoms to form a mixture of corner and edge-sharing OAg2Pb2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgPbO2 by Materials Project

AgPbO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.09 Å) and one longer (2.10 Å) Ag–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.19 Å) and four longer (2.31 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are four shorter (2.52 Å) and two longer (2.57 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ag2+ and three Pb2+ atoms to form a mixture of distorted corner and edge-sharing OAgPb3 tetrahedra. In the second O2- site, O2- is bonded to one Ag2+ and three Pb2+ atoms to form a mixture of distorted corner and edge-sharing OAgPb3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgPbO2 by Materials Project

AgPbO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. In the second Ag2+ site, Ag2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.10 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.19 Å) and four longer (2.31 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are four shorter (2.51 Å) and two longer (2.55 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ag2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OAgPb3 tetrahedra. In the second O2- site, O2- is bonded to one Ag2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OAgPb3 tetrahedra.

36 MATERIALS SCIENCE↗