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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/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF)
Sydney R. Halla, Frank H. Allenb, I. David Brownc, James R. Hesterd, Antanas Vaitkuse and Matthew R. Rowlesf
aSchool of Molecular Sciences, The University of Western Australia (M310), 35 Stirling Highway, 6009 Perth, Australia, bCambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK, cBrockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario, Canada L8S 4M1, dAustralian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW 2232, Australia, eSector of Crystallography and Chemical Informatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, LT-10257, Vilnius, Lithuania, and fJohn de Laeter Centre, Curtin University, GPO Box U1987, Perth, WA 6845, Australia. This is version 3.3.0 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 Framework; coreCIF; core Crystallographic Information Framework; data names; data categories; DDLm. |
This chapter is in preparation
