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DOE OSTI · 1710463

Materials Data on LaCr4(CuO4)3 by Materials Project

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Abstract

LaCr4(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share faces with eight equivalent CrO6 octahedra. All La–O bond lengths are 2.64 Å. Cr+3.75+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. All Cr–O bond lengths are 2.01 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.89 Å. O2- is bonded in a 3-coordinate geometry to one La3+, two equivalent Cr+3.75+, and one Cu2+ atom.

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36 MATERIALS SCIENCECr-Cu-La-Ocrystal structureLaCr4(CuO4)3

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2020-05-02. Materials Data on LaCr4(CuO4)3 by Materials Project. https://doi.org/10.17188/1710463

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