Development of methods of X-ray diffraction analysis for determining the composition and structure of sillenite-family crystals |
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Authors: | T. I. Mel’nikova G. M. Kuz’micheva N. B. Bolotina N. V. Sadovskaya |
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Affiliation: | 1. State University of Fine Chemical Technology, Moscow, Russia 2. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskii pr. 59, Moscow, 119333, Russia 3. Karpov Institute of Physical Chemistry, Moscow, Russia
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Abstract: | A methodology for refining the crystal structure of sillenites of nominal composition Bi24 M 2O40 based on the choice of the correct initial model and thermal atomic parameters is reported. The validity of the approach proposed is demonstrated by examples of crystals with M = Si, Fe, or V, for which the real composition is found with allowance for the composition of each structural site. Individual structural details are confirmed by IR and Raman spectroscopy data. |
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