International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

© International Union of Crystallography 2026
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001012

Chapter 4.3 Multi-block CIF dictionary

Matthew R. Rowlesa, James R. Hesterb and Antanas Vaitkusc

a Microanalysis Australia, 5 Alvan Street, Mount Lawley, WA 6050, Australia, bAustralian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW 2232, Australia, and cSector of Crystallography and Chemical Informatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, LT-10257, Vilnius, Lithuania.

The multi-block dictionary adds data names to the core dictionary which allow description of data spread over multiple data units (blocks). By default, all data names in Set categories must be single-valued in a data block. If one or more key data names are supplied to these Set categories, information in these categories spread over multiple data blocks can be combined together. This dictionary redefines Set categories to include new key data names, adds the key data-name definitions, and defines any linked and child data names.

Keywords: Crystallographic Information Framework; CIF dictionaries; multi-block dictionary; Set categories; key data names; DDLm.
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The multi-block dictionary adds data names to the core dictionary which allow description of data spread over multiple data units (blocks). Under the default schema, all data names in Set categories must be single-valued in any given data block. If these Set categories are provided with one or more key data names, information in these categories spread over multiple data blocks can be combined together. When key data names are specified, all child data names in other categories should be specified at the same time, as well as data names that reference items in the given Set category. This dictionary redefines Set categories to include the new key data names, adds the key data-name definitions, and defines any linked and child data names.

This chapter provides a list of all the definitions in version 1.1.0 of the dictionary. Apart from CIF_CORE_MULTIBLOCK_HEAD, categories (indicated by capital letters) are listed alphabetically, each followed by their contained data names in alphabetical order. Note that category names that appear in brackets (e.g. [ATOM]) are defined in other linked chapters.

See Chapter 3.3link to referenced content for an account of how to use this dictionary for complex data sets.

Multi-block CIF dictionary version 1.1.0 definitions

Definitions are arranged alphabetically by category and within category.








































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