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DOE OSTI2020

Materials Data on Ag2PdO2 by Materials Project

Ag2PdO2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.30 Å) and two longer (2.74 Å) Ag–O bond lengths. O2- is bonded to two equivalent Pd2+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing OAg4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgPdO2 by Materials Project

PdAgO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six O2- atoms to form edge-sharing PdO6 octahedra. There are four shorter (2.05 Å) and two longer (2.06 Å) Pd–O bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. 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 2.13 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted linear geometry to six O2- atoms. There are two shorter (2.20 Å) and four longer (2.79 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Pd2+ and two equivalent Ag2+ atoms. In the second O2- site, O2- is bonded to two equivalent Pd2+ and two Ag2+ atoms to form a mixture of edge and corner-sharing OAg2Pd2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgPdO2 by Materials Project

PdAgO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.03 Å. Ag2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.21 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Ag2+ atoms to form a mixture of edge and corner-sharing OAg2Pd2 tetrahedra.

36 MATERIALS SCIENCE↗