Buy article online - an online subscription or single-article purchase is required to access this article.
research papers
A method for the structure refinement of composite crystals based on the multidimensional formalism of Janner & Janssen [Acta Cryst. (1980), A36, 408-415] and successfully applied to `LaCrS3' and M10CuI7O29 (M= Bi0.031Ca0.564Sr0.405) [Kato (1990). Acta Cryst. B46, 39-44] is fully described. This method is also applicable to a commensurate composite crystal. Methods for treating atoms in special positions and for calculating bond lengths and angles are presented in detail. In all of these methods, a square matrix P that transforms the subsystem coordinates into the coordinates of the common system plays an important role.