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DOE OSTI · 1662620

Materials Data on CeMn4(CuO4)3 by Materials Project

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Abstract

CeMn4(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Ce–O bond lengths are 2.56 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 39°. All Mn–O bond lengths are 1.97 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded in a 4-coordinate geometry to one Ce3+, two equivalent Mn+4.50+, and one Cu1+ atom.

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36 MATERIALS SCIENCECe-Cu-Mn-OCeMn4(CuO4)3crystal structure

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2020-07-14. Materials Data on CeMn4(CuO4)3 by Materials Project. https://doi.org/10.17188/1662620

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