Deposit Structures

Many renowned journals in the field of crystallography expressly invite their authors to deposit their published crystal structure data in the web-based deposition service offered jointly by the Cambridge Crystallographic Data Centre and FIZ Karlsruhe. The repository accepts crystal structure data in CIF format (.cif) for organic, organo-metallic and inorganic compounds. In addition to the CIF file, we strongly encourage you to also include the structure factor data, which is also recommended by the IUCr.

The deposition of crystal structures is possible for for the following cases:
- Publication in a scientific journal
- direct publishing in the database (CSD or ICSD communications)

In each case, you will receive a CSD deposition number that can be used to reference the data. For CSD/ICSD communications, a DOI is also created for this dataset, which can also be used as a reference for the crystal structure.
 

Deposition process

Deposit data to the CCDC

https://www.ccdc.cam.ac.uk/deposit

You can deposit your crystal structure data and associated structure factor files to the joint CCDC and FIZ Karlsruhe deposition service according to the following restrictions:

  • Each submission must include at least one CIF file
  • Additional files may be in HKL, RES, FCF, Word format and may be included in a ZIP file
  • Each submission should only include data for one publication
  • There are two limits on the size of uploads: 50 MB per file and 100 MB for the total size of files uploaded
  • We highly encourage you to include structure factor data for all structures

Please provide as much additional information as possible in the CIF file or on the "Enhanced Data" page when depositing. This will greatly enhance the reusability of the data by other researchers.

After submitting the data a 7-digit depostion number will be sent to you within 2 working days.

More details about the deposit in general and the procedure for depositing a structure can be found here.