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ICSD now contains 100,243 fully determined crystal structures

01. October 2007

The ICSD database now contains 100,243 fully determined crystal structures for which the atom coordinates have been obtained from experimental data. During the update procedure, we have added 2,893 new entries, modified 4,719 entries and removed 26 entries. Additionally, we would like to mention that the new release contains an almost complete set of those inorganic crystal structures published in 2006 and that the bibliographic data has been thoroughly revised.

The work on structure types has been extended on the newly added and modified data. Thanks to the work by Professor Rudolf Allmann, about 60,000 ICSD entries are now classified according to about 2,500 distinct structure types.
The details on the introduction of structure types into the ICSD have been published in a recent publication by Professor Rudolf Allmann and Dr. Roland Hinek in Acta Crystallographica A63, pages 412-417 (2007), which is freely available to the public on the accompanying CD(StructureTypesActaCryst.pdf) or on the IUCr Website at