Data should be deposited with the Cambridge Crystallographic Data Centre (CCDC) and FIZ Karlsruhe via our joint web-based CIF deposition and validation service at:

www.ccdc.cam.ac.uk/deposit

The CCDC and FIZ Karlsruhe accepts depositions of crystal structure data in CIF format from X-ray and neutron diffraction studies, and from powder studies using a constrained refinement, principally for:

  • organic compounds
  • metal-organic compounds
  • inorganic compounds

Some other structure types may also be accepted - please consult our FAQ page for more information.

The CCDC and FIZ Karlsruhe strongly encourage the inclusion of structure factor data with CIFs for deposition to the Cambridge Structural Database (CSD) and the Inorganic Crystal Structure Database (ICSD), in line with recommendations by the International Union of Crystallography (IUCr). For further information please check our FAQ page or the announcement from the IUCr.

IUCr information on new recommended publication standards for crystal structures

 Data depositions with the CCDC and FIZ Karlsruhe are of two main types:

  • Data for Publication in a Scientific Journal: if your structure(s) are being/have been submitted for publication in a journal. We encourage all researchers to deposit data with us prior to publication of a paper, and include deposition information in their manuscript. Alternatively, if your structure(s) have already been published in a journal, and you would like to deposit data with us so the CIF will be available to other scientists through our joint CCDC and FIZ Karlsruhe Access Structures service and if appropriate curated into the CSD or the ICSD.

  • Publishing directly through a database: if your structure(s) are not intended for publication, but you wish them to be available to other scientists through the CSD or the ICSD. You can do this by adding your structure as a CSD Communication (previously known as Private Communication to the CSD) or an ICSD Communication using the 'Publish through a database' button.

On receipt, all depositions are stored in the secure CCDC Supplementary Data Archive. The depositor will receive a confirmation email within 3 working days giving a summary of the data deposited and issuing a Deposition Number for each structure. Structures deposited after April 2014 will receive a seven-digit CCDC number, any structures deposited before this date will have a six-digit number format. This number should be quoted in any subsequent publication or enquiries to the CCDC about that structure. After publication, deposited structures will be made available through  Access Structures service. Additionally experimental organic and metal-organic crystal structures will be curated into the main distributed CSD, and experimental inorganic structures will be curated into the main distributed ICSD.