Materials Data on Cu6NiO6 by Materials Project
NiCu6O6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ni–O bond lengths are 1.90 Å. Cu+1.67+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.06 Å. O2- is bonded to one Ni2+ and four equivalent Cu+1.67+ atoms to form a mixture of corner and edge-sharing OCu4Ni square pyramids.
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