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Results for “O-Tl-Tm”

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DOE OSTI2020

Materials Data on TmTlO2 by Materials Project

TmTlO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent O2- atoms to form edge-sharing TmO6 octahedra. All Tm–O bond lengths are 2.27 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 2.94 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Tm3+ and three equivalent Tl1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmTlO3 by Materials Project

TmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Tm–O bond distances ranging from 2.21–2.31 Å. Tl3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.20–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Tl3+ atoms to form distorted corner-sharing OTm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Tl3+ atom.

36 MATERIALS SCIENCE↗