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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KTlO by Materials Project

KTlO is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two KTlO sheets oriented in the (1, 0, 0) direction. K1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are two shorter (2.70 Å) and one longer (2.76 Å) K–O bond lengths. Tl1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are one shorter (2.38 Å) and two longer (2.48 Å) Tl–O bond lengths. O2- is bonded to three equivalent K1+ and three equivalent Tl1+ atoms to form edge-sharing OK3Tl3 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KTlO2 by Materials Project

KTlO2 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 TlO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 12°. All K–O bond lengths are 2.76 Å. Tl3+ is bonded to six equivalent O2- atoms to form TlO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–O bond lengths are 2.36 Å. O2- is bonded to three equivalent K1+ and three equivalent Tl3+ atoms to form a mixture of corner and edge-sharing OK3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗