Tables for
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G. ch. 3.4, pp. 136-137

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G. Madariagaa*

aDepartamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, 48080 Bilbao, Spain
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The categories modified in the msCIF dictionary to formalize the construction of a multi-block description of modulated or composite structures are as follows:

AUDIT group

Categories marked with ¶ are already defined in the core CIF dictionary.

Data items revised in these categories are as follows:

(a) AUDIT [Scheme scheme37]

(b) AUDIT_LINK [Scheme scheme38]

The core dictionary definitions of these items are revised in order to formalize the relationships between multiple data blocks representing reference and modulated structures. Guidance is provided in the msCIF dictionary on how to label data blocks in a way that makes their mutual relationships clear.

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