Journal Article

PUBDB-2025-05347

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png OD (order–disorder) interpretation and diffuse scattering analysis of an organic polytype with allotwin character: a detailed how-to

Fröschl, D. ; Kratena, N. ; Stoeger, B. (Corresponding author)Extern* ; Virovets, A.Extern* ; Wolflehner, T.Extern*

2025
Wiley-Blackwell Oxford [u.a.]

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Please use a persistent id in citations: doi:10.1107/S205252062500914X  doi:10.3204/PUBDB-2025-05347

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.Keywords: order–disorder theory; diffuse scattering; polytypes; twinning; allotwinning.

Note: Open Access: CC BY 4.0 licence

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
2. FS-Proposal: I-20231300 EC (I-20231300-EC) (I-20231300-EC)

Experiment(s):

1. PETRA Beamline P24 (PETRA III)

Appears in the scientific report 2025

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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