Abstract
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.
Original language | English |
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Pages (from-to) | 452-465 |
Number of pages | 14 |
Journal | Acta Crystallographica Section E: Crystallographic Communications |
Volume | 77 |
DOIs | |
State | Published - May 1 2021 |
Bibliographical note
Publisher Copyright:© 2021.
Keywords
- HKLF 5 format
- pseudo-Tetragonal
- pseudo-hexagonal
- pseudo-merohedry
- pseudo-orthorhombic
- reticular
- twinning
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics