Development of methods of X-ray diffraction analysis for determining the composition and structure of sillenite-family crystals
Abstract
A methodology for refining the crystal structure of sillenites of nominal composition Bi24M2O40 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.
- Publication:
-
Crystallography Reports
- Pub Date:
- March 2014
- DOI:
- 10.1134/S1063774514020151
- Bibcode:
- 2014CryRp..59..155M
- Keywords:
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- Crystallography Report;
- Tetrahedral Site;
- Residual Electron Density;
- Atomic Displacement Parameter;
- Raman Spectroscopy Data