Square coordinated MnO(2)-units in BiMn(7)O(12)

Room temperature high-resolution synchrotron X-ray diffraction (HRSXRD) measurements were carried out on polycrystalline samples of BiMn(7)O(12) and LaMn(7)O(12). Rietveld refinements of HRSXRD data describe the crystal structures of both compounds in the monoclinic space group I2/m. The maximum ent...

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Bibliographic Details
Published in:Inorganic chemistry 2010-10, Vol.49 (19), p.8709-8712
Main Authors: Okamoto, Hiroshi, Imamura, Naoki, Karppinen, Maarit, Yamauchi, Hisao, Fjellvåg, Helmer
Format: Article
Language:English
Subjects:
Manganese Compounds - chemistry
Models, Molecular
Oxides - chemistry
Synchrotrons
X-Ray Diffraction
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Summary:Room temperature high-resolution synchrotron X-ray diffraction (HRSXRD) measurements were carried out on polycrystalline samples of BiMn(7)O(12) and LaMn(7)O(12). Rietveld refinements of HRSXRD data describe the crystal structures of both compounds in the monoclinic space group I2/m. The maximum entropy method-based pattern fitting (MPF) method inversion of HRSXRD data was utilized to obtain the spatial electron density (ED) distribution. Obtained results show clear differences in ED distributions around Mn-O bonds between isomorphic BiMn(7)O(12) and LaMn(7)O(12). The scheme of ED distributions in BiMn(7)O(12) indicates the presence of orbital ordering in the MnO(2) planar arrangement that appears as prominent features in very distorted MnO(12) and MnO(6) polyhedrons in the perovskite related structure of [BiMn(3)](A-site)[Mn(4)](B-site)O(12).
ISSN:1520-510X
DOI:10.1021/ic100499d