Professor Allmann has finished his work on the assignment of structure types to the data of the ICSD
01. April 2006
Professor Allmann has finished his work on the assignment of structure types to the data of the ICSD. We would like to document the long standing effort and the extraordinary work by Professor Allmann.
Release | # Structure Types | # Assigned Structures | Assign. Struct. /% | Total # Records |
2005-1 | 107 | 15874 | 18.4 | 86308 |
2005-2 | 109 | 16872 | 18.9 | 89384 |
2006-1 | 802 | 32970 | 37.0 | 89064 |
2006-2 | 1346 | 40145 | 42.8 | 93720 |
2007-1 | 1600 | 50717 | 52.1 | 97376 |
Table 1: Classification of crystal structures according to their assigned structure types. In release 2006-01 about 3000 unnecessary duplicates were removed from the database.
Structure types in the ICSD are the isoconfigurational structures according to Lima-de-Faria et al., Acta Cryst. (1990). A46, pp1-11. The ICSD now contains a comprehensive and searchable list of these structure types. Please note that only those structures have been classified in which all atom positions are fully occupied.