International Tables for Crystallography

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Structure determination in the presence of twinning by merohedry
T. O. Yeates and M. R. Sawaya. International Tables for Crystallography (2012). Vol. F, ch. 18.12, pp. 548-551  [ doi:10.1107/97809553602060000866 ]

Abstract

This chapter details strategies for determining structures based on intensity data suffering from twinning. Progress can often be made in the early stages of structure determination without taking the twinning into account, whereas proper refinement of structures must account for the effects of twinning. Complications that can occur when handling anomalous-scattering information are discussed. Opportunities are identified for more formal treatments of the problem of phasing twinned data. The facility with which twinning can be analysed and discriminated from local noncrystallographic symmetry during the final stages of analysis is emphasized.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.