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DOE OSTI · 1318934

Materials Data on CaLa2TiO6 by Materials Project

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Abstract

CaLa2TiO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Ca–O bond lengths are 2.30 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.36 Å) and three longer (2.73 Å) La–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Ti–O bond lengths are 1.99 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent La3+, and one Ti4+ atom.

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36 MATERIALS SCIENCECa-La-O-TiCaLa2TiO6crystal structure

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2020-07-23. Materials Data on CaLa2TiO6 by Materials Project. https://doi.org/10.17188/1318934

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