The International Union of Crystallography (IUCr) is publishing the latest edition of Volume G (Definition and exchange of crystallographic data) of the multi-volume handbook International Tables for Crystallography, featuring new sections devoted to the topology of crystal structures.For the first time, this authoritative scientific publication now includes sections on the calculation of topological parameters and the topological classification of crystal structures, as well as the presentation of topological information in CIF (Crystallographic Information File) format. "Now the computer format for representing topological crystal structure data used in ToposPro has become an international standard," comments Professor Vladislav Blatov.
The preparation of the relevant sections took eight years and was carried out by an international team of three scientists – Prof. Vladislav Blatov, Prof. Davide Proserpio (University of Milan, Italy) and Dr. Robert Hanson (St. Olaf College, Minnesota, USA).
"I view this result as an important step in the development of crystallography and crystal chemistry," says Prof. V. A. Blatov. "The International Tables of Crystallography are familiar to every scientist working with crystal structures: they contain all the necessary information in the field of theoretical and applied crystallography. The handbook has been published since the 1950s. For the first time in this entire period, it includes sections devoted to the use of topological approaches in describing crystals, i.e., what the SCTMS is working on. I am grateful to Prof. Proserpio and Dr. Hanson for the enormous and challenging work we have been able to accomplish together over the past eight years, the results of which, I hope, will be useful to the entire community of structural chemists."