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

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001019

Chapter 4.10 Topology dictionary (topoCIF)

Vladislav A. Blatova, Davide M. Proserpiob and Robert M. Hansonc

aSamara State Technical University, Molodogvardeyskaya St 244, Samara 443100, Russia, bUniversità degli Studi di Milano, Dipartimento di Chimica, Via Golgi, 19 - 20133 Milano, Italy, and cDepartment of Chemistry, St Olaf College, 1520 St Olaf Ave, Northfield, Minnesota 55057, USA.

The topology CIF dictionary (topoCIF) provides terms describing the connectivity graphs, or nets, of crystal structures. Several nomenclatures are supported for describing the overall topology of the net. Limited description of tilings is supported. The formalism supports polyatomic building units of crystal structures, and by linking to the atom site information in the core CIF dictionary can also relate net topology to chemical or other identified connectivity schemes.

Keywords: topology Crystallographic Information File; topoCIF dictionary; topology; net; periodic net; topology; DDLm.

This chapter is in preparation








































to end of page
to top of page