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> - the a < b < c ordering has no scientific advantage in any way; it > may appear more aesthetic to some There is an advantage : to avoid indexing in a different setting for the same space group. Unfortunately it is not bullet proof. If fails when two cell parameters have very similar lengths, but the axis are non-crystal symmetry equivalent and non-unique axis (example CDK2 in P21 has length(a) ~ length(c) and some structures were determined using a swap of c and a). My take is that we would have seen that kind of mishaps much more frequently if not for the a < b < c convention. It is therefore useful IMO. Thierry Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (2000 Galloping Hill Road, Kenilworth, New Jersey, USA 07033), and/or its affiliates Direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system.