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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrAgO3 by Materials Project

SrAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent AgO6 octahedra. All Sr–O bond lengths are 2.91 Å. Ag is bonded to six equivalent O atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–O bond lengths are 2.06 Å. O is bonded to four equivalent Sr and two equivalent Ag atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAgO2 by Materials Project

SrAgO2 is Corundum-derived structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. There are a spread of Sr–O bond distances ranging from 2.47–2.66 Å. Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.12 Å) and two longer (2.29 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ag2+ atoms to form distorted OSr2Ag2 trigonal pyramids that share corners with four equivalent OSr4Ag2 octahedra, corners with four equivalent OSr2Ag2 trigonal pyramids, and edges with four equivalent OSr4Ag2 octahedra. The corner-sharing octahedral tilt angles are 75°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ag2+ atoms to form OSr4Ag2 octahedra that share corners with six equivalent OSr4Ag2 octahedra, corners with four equivalent OSr2Ag2 trigonal pyramids, edges with four equivalent OSr4Ag2 octahedra, and edges with four equivalent OSr2Ag2 trigonal pyramids. The corner-sharing octahedra tilt angles range from 0–1°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAgO2 by Materials Project

SrAgO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra tilt angles range from 13–35°. There are a spread of Sr–O bond distances ranging from 2.53–2.61 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.12 Å) and two longer (2.71 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 (2.10 Å) and two longer (2.11 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two Ag2+ atoms to form a mixture of distorted corner and edge-sharing OSr4Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two Ag2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAgO2 by Materials Project

SrAgO2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.66 Å) and four longer (2.81 Å) Sr–O bond lengths. Ag2+ 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 to four equivalent Sr2+ and two equivalent Ag2+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°.

36 MATERIALS SCIENCE↗