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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaTmO3 by Materials Project

LaTmO3 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 octahedra tilt angles range from 38–41°. There are a spread of Tm–O bond distances ranging from 2.22–2.26 Å. La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–3.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and three equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent La3+ atoms to form distorted corner-sharing OLa2Tm2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaTmO2 by Materials Project

TmLaO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm is bonded to six equivalent O atoms to form TmO6 octahedra that share corners with six equivalent LaO6 octahedra, edges with six equivalent TmO6 octahedra, and edges with six equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Tm–O bond lengths are 2.29 Å. La is bonded to six equivalent O atoms to form distorted LaO6 octahedra that share corners with six equivalent TmO6 octahedra, edges with six equivalent TmO6 octahedra, and edges with six equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All La–O bond lengths are 2.72 Å. O is bonded to three equivalent Tm and three equivalent La atoms to form a mixture of edge and corner-sharing OLa3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗