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DOE OSTI · 1738110

Materials Data on LaMn3Cr4O12 by Materials Project

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Abstract

LaCr4Mn3O12 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 2.68 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 42°. All Cr–O bond lengths are 2.02 Å. Mn2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.95 Å. O2- is bonded in a 3-coordinate geometry to one La3+, two equivalent Cr+3.75+, and one Mn2+ atom.

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36 MATERIALS SCIENCECr-La-Mn-Ocrystal structureLaMn3Cr4O12

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2020-06-04. Materials Data on LaMn3Cr4O12 by Materials Project. https://doi.org/10.17188/1738110

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