Practical hints and tips for solution of pseudo-merohedric twins: three case studies

Twinning by pseudo-merohedry is a common phenomenon in small-molecule crystallography. In cases where twin-component volume fractions are markedly different, structure solution is often no more difficult than for non-twinned structures of similar complexity. When twin-component volume fractions are...

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Bibliographic Details
Main Author: S. R. Parkin
Format: Article
Language:English
Published: International Union of Crystallography 2021-05-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S205698902100342X
Description
Summary:Twinning by pseudo-merohedry is a common phenomenon in small-molecule crystallography. In cases where twin-component volume fractions are markedly different, structure solution is often no more difficult than for non-twinned structures of similar complexity. When twin-component volume fractions are similar, however, structure solution can be much more of a problem. This paper presents hints and tips for such cases by means of three worked examples. The first example presents the most common (and simplest) case of a two-component pseudo-orthorhombic twin. The second example describes structure solution of a reticular threefold pseudo-hexagonal twin that benefits from use of an unconventional space-group setting. The third example covers structure solution of a reticular fourfold pseudo-tetragonal twin. All three structures are ultimately shown to be monoclinic crystals that twin as a consequence of unit-cell metrics that mimic those of higher symmetry crystal systems.
ISSN:2056-9890