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Updated: Jan 11, 2026

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Published on: May 27, 2020
OD (order-disorder) interpretation and diffuse scattering analysis of an organic polytype with allotwin character: a
David Fröschl1, Nicolas Kratena1, Berthold Stöger2
1Institute of Applied Synthetic Chemistry, TU Wien, Getreidemarkt 9, 1060 Vienna, Austria.
Abstract:
2,3-Dihydroxy-1,3,4-trimethyl-6-oxo-1,4-cyclohexadiene-1-carboxylic acid crystallizes in an order-disorder (OD) structure with a high stacking fault probability. The diffraction pattern features diffuse scattering and broad peaks, which can be attributed to fragments of two polytypes of a maximum degree of order (MDO). Additional weak peaks indicate existence of a non-MDO polytype. A detailed step-by-step instruction is given on how to develop an OD description and interpret the diffuse scattering using a stochastic growth model.
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