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

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17 Scopus citations

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 languageEnglish
Pages (from-to)452-465
Number of pages14
JournalActa Crystallographica Section E: Crystallographic Communications
Volume77
DOIs
StatePublished - 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

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