Determination of interatomic distances and coordination numbers by K-XANES in crystalline minerals with distorted local structure
作者： L A Bugaev , Ph Ildefonse , A M Flank , A P Sokolenko , H V Dmitrienko
DOI: 10.1088/0953-8984/12/6/328
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摘要: The method for quantitative determination of interatomic distances and coordination numbers (CN) from experimental K-XANES light metallic atoms in crystalline compounds with distorted local structure is proposed, based on the extraction first shell term multiple-scattering term. In minerals these terms can be obtained under uncertainties ~0.3 - 0.4 A values second more distant radii, using unambiguous diffraction data cell unit parameters type point symmetry. fitting extracted by theoretical terms, generated within alternative models split this distortions environment absorbing atom, permits one to obtain CN reasonable agreement reference studied.
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