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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KAgO by Materials Project

KAgO crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.73 Å) and two longer (2.79 Å) K–O bond lengths. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. O2- is bonded to four equivalent K1+ and two equivalent Ag1+ atoms to form a mixture of corner and edge-sharing OK4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–11°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KAgO by Materials Project

KAgO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Ag1+ and four equivalent O2- atoms to form distorted KAg6O4 tetrahedra that share corners with four equivalent AgK6O4 tetrahedra, corners with six equivalent KAg6O4 tetrahedra, edges with six equivalent AgK6O4 tetrahedra, and faces with twelve equivalent KAg6O4 tetrahedra. All K–Ag bond lengths are 3.07 Å. All K–O bond lengths are 2.66 Å. Ag1+ is bonded to six equivalent K1+ and four equivalent O2- atoms to form distorted AgK6O4 tetrahedra that share corners with four equivalent KAg6O4 tetrahedra, corners with six equivalent AgK6O4 tetrahedra, edges with six equivalent KAg6O4 tetrahedra, and faces with twelve equivalent AgK6O4 tetrahedra. All Ag–O bond lengths are 2.66 Å. O2- is bonded in a body-centered cubic geometry to four equivalent K1+ and four equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗