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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KYbO2 by Materials Project

KYbO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent YbO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All K–O bond lengths are 2.77 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Yb–O bond lengths are 2.34 Å. O2- is bonded to three equivalent K1+ and three equivalent Yb3+ atoms to form a mixture of edge and corner-sharing OK3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Yb2O3 by Materials Project

K2Yb2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.10 Å. Yb2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing YbO4 tetrahedra. There are a spread of Yb–O bond distances ranging from 2.20–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Yb2+ atoms to form corner-sharing OK4Yb2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and three equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KYbO3 by Materials Project

KYbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent YbO6 octahedra. All K–O bond lengths are 3.17 Å. Yb is bonded to six equivalent O atoms to form YbO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.24 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Yb atoms.

36 MATERIALS SCIENCE↗