X-Ray Powder Diffraction

4.0 Reference to previous communications and unpublished work

4.1 Crystallographic work published in a preliminary communication

It is permissible to regard a fully refined crystal structure determination published as a communication as archival material. If an author does not wish to discuss the structure again at any length in the corresponding full paper, his purpose will be served by a simple reference back to the original communication, and he need not re-present the associated data for publication or for the referees. However if these conditions are not fulfilled, the data should be re-presented in full and will be re-published if considered necessary.

4.2 Unpublished crystallographic work

There may be cases (other than that just described) when an author wishes to publish a paper in which the result of a crystal structure determination is discussed, but where he/she does not wish to include details or extensive discussion. He/she may not even wish to include the crystallographer as co-author (for example when the determination is carried out by a commercial company). If the author is able to show that this procedure is appropriate, it will be allowed provided that it does not lead to unnecessary fragmentation. However the author must provide, as supplementary information, sufficient data relating to the crystal structure determination to allow a crystallographer to make sure that the point made is correct, and coordinates etc. will be deposited at the Cambridge Crystallographic Data Centre (or the Fachinformationszentrum Karlsruhe). The brief published description of the determination should be supplemented by appropriate reference to 'unpublished work'.