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R. Kurki-Suonio (1994)
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Abstract X-ray diffraction intensities from CoO were measured above and below the Néel temperature. The data were submitted to a non-parametric multipole analysis aiming at formulation of experimentally valid statements on the nature of the charge distribution. Strong “bonding maxima” are seen between the Co 〈110〉O nearest neighbors. In the paramagnetic state they are formed by the Co-ion alone, in the antiferromagnetic state they involve a strong CoO coupling. The outer electrons of oxygen give rise to slight maxima in the 〈110〉 directions, making the atom into an O2− ion. In the paramagnetic state, their coupling with the bonding feature forms an octahedral electron cage around each oxygen atom. Broad density maxima between the atoms in 〈111〉 directions are present in both states. They connect the “bonding maxima” in the 〈110〉 directions, more strongly in the antiferromagnetic state, building up an interatomic three-dimensional network. Such electron network structures seem to be characteristic of metal oxides more generally.
Crystallography Reports – Springer Journals
Published: May 1, 2004
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