Ausbildung bei FIZ Karlsruhe

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.