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DOE OSTI · 1280826

Materials Data on ThMn4(CuO4)3 by Materials Project

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Abstract

ThCu3Mn4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent O2- atoms to form ThO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Th–O bond lengths are 2.59 Å. Mn+3.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent ThO12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Mn–O bond lengths are 2.00 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. O2- is bonded in a 4-coordinate geometry to one Th4+, two equivalent Mn+3.50+, and one Cu2+ atom.

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36 MATERIALS SCIENCEcrystal structureCu-Mn-O-ThThMn4(CuO4)3

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2020-07-14. Materials Data on ThMn4(CuO4)3 by Materials Project. https://doi.org/10.17188/1280826

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