Chapter

Chapter 4.1 Core dictionary (coreCIF)

Definition and exchange of crystallographic data

First Online Edition (2006)

Part 4. Data dictionaries

  1. S. R. Hall1,
  2. F. H. Allen2,
  3. I. D. Brown3

Published Online: 1 JAN 2006

DOI: 10.1107/97809553602060000741

International Tables for Crystallography

International Tables for Crystallography

How to Cite

Hall, S. R., Allen, F. H. and Brown, I. D. 2006. Core dictionary (coreCIF). International Tables for Crystallography. G:4:4.1:210–257.

Author Information

  1. 1

    School of Biomedical and Chemical Sciences, University of Western Australia, Crawley, Perth, WA 6009, Australia

  2. 2

    Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, England

  3. 3

    Brockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario, Canada L8S 4M1

Publication History

  1. Published Online: 1 JAN 2006

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Abstract

This is version 2.3.1 of the core CIF dictionary (coreCIF). A commentary on the use of this dictionary may be found in Chapter 3.2. The data names defined here are central to the description and reporting of any crystal‐structure determination, and this dictionary collects the natural set of descriptors for small‐unit‐cell structures (typically inorganic or small‐molecule organic or metal‐organic compounds) determined in single‐crystal experiments.

Keywords:

  • crystallography;
  • CIF;
  • CIF dictionaries;
  • Crystallographic Information File;
  • coreCIF;
  • core Crystallographic Information File;
  • data names;
  • data categories;
  • DDL1