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DOE OSTI · 1757309

Materials Data on Mn7CdO12 by Materials Project

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Abstract

Mn7CdO12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are two inequivalent Mn+3.14+ sites. In the first Mn+3.14+ site, Mn+3.14+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.96 Å. In the second Mn+3.14+ site, Mn+3.14+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Mn–O bond lengths are 2.00 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Cd–O bond lengths are 2.68 Å. O2- is bonded in a 3-coordinate geometry to three Mn+3.14+ and one Cd2+ atom.

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36 MATERIALS SCIENCECd-Mn-Ocrystal structureMn7CdO12

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2020-09-03. Materials Data on Mn7CdO12 by Materials Project. https://doi.org/10.17188/1757309

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