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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaAgO by Materials Project

NaAgO crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.36 Å) and two longer (2.39 Å) Na–O bond lengths. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.10 Å. O2- is bonded to four equivalent Na1+ and two equivalent Ag1+ atoms to form a mixture of corner and edge-sharing ONa4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 2–14°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaAgO by Materials Project

NaAgO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Ag1+ and four equivalent O2- atoms to form distorted NaAg6O4 tetrahedra that share corners with four equivalent AgNa6O4 tetrahedra, corners with six equivalent NaAg6O4 tetrahedra, edges with six equivalent AgNa6O4 tetrahedra, and faces with twelve equivalent NaAg6O4 tetrahedra. All Na–Ag bond lengths are 2.86 Å. All Na–O bond lengths are 2.47 Å. Ag1+ is bonded to six equivalent Na1+ and four equivalent O2- atoms to form distorted AgNa6O4 tetrahedra that share corners with four equivalent NaAg6O4 tetrahedra, corners with six equivalent AgNa6O4 tetrahedra, edges with six equivalent NaAg6O4 tetrahedra, and faces with twelve equivalent AgNa6O4 tetrahedra. All Ag–O bond lengths are 2.47 Å. O2- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaAgO by Materials Project

NaAgO crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Na1+ is bonded in a see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.40 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.10 Å. O2- is bonded to four equivalent Na1+ and two equivalent Ag1+ atoms to form a mixture of corner and edge-sharing ONa4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 1–15°.

36 MATERIALS SCIENCE↗