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DOE OSTI · 1318102

Materials Data on CaLa2VO6 by Materials Project

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Abstract

CaLa2VO6 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 VO6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Ca–O bond lengths are 2.29 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.38 Å) and three longer (2.69 Å) La–O bond lengths. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 32°. All V–O bond lengths are 1.97 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent La3+, and one V4+ atom.

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36 MATERIALS SCIENCECa-La-O-VCaLa2VO6crystal structure

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2020-07-18. Materials Data on CaLa2VO6 by Materials Project. https://doi.org/10.17188/1318102

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