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DOE OSTI · 1698929

Materials Data on La2TiCrO6 by Materials Project

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Abstract

La2TiCrO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.43 Å) and six longer (2.80 Å) La–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Ti–O bond lengths are 2.02 Å. Cr2+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Cr–O bond lengths are 2.01 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Cr2+ atom.

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36 MATERIALS SCIENCECr-La-O-Ticrystal structureLa2TiCrO6

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2020-06-05. Materials Data on La2TiCrO6 by Materials Project. https://doi.org/10.17188/1698929

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