The derivation of non-merohedral twin laws during refinement by analysis of poorly fitting intensity data and the refinement of non-merohedrally twinned crystal structures in the program CRYSTALS

Although non‐merohedrally twinned crystal structures can normally be solved without difficulty, problems usually arise during refinement. Careful analysis of poorly fitting data reveals that they belong predominantly to certain distinct zones in which |Fo|2 is systematically larger than |Fc|2. In th...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of applied crystallography 2002-04, Vol.35 (2), p.168-174
Hauptverfasser:	Cooper, Richard I., Gould, Robert O., Parsons, Simon, Watkin, David J.
Format:	Artikel
Sprache:	eng
Schlagworte:	computer programs Condensed matter: structure, mechanical and thermal properties Defects and impurities in crystals microstructure Exact sciences and technology Physics Single-crystal and powder diffraction Stacking faults and other planar or extended defects Structure of solids and liquids crystallography twinning X-ray diffraction and scattering
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!