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DOE OSTI · 1319473

Materials Data on CaLa2WO6 by Materials Project

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Abstract

CaLa2WO6 is Ilmenite-derived structured and 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 WO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ca–O bond lengths are 2.32 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.35 Å) and three longer (2.72 Å) La–O bond lengths. W4+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All W–O bond lengths are 2.08 Å. O2- is bonded to one Ca2+, two equivalent La3+, and one W4+ atom to form a mixture of distorted edge and corner-sharing OCaLa2W trigonal pyramids.

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36 MATERIALS SCIENCECa-La-O-WCaLa2WO6crystal structure

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2020-07-23. Materials Data on CaLa2WO6 by Materials Project. https://doi.org/10.17188/1319473

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