Has anyone provided comments on Friedrich W. Karau's recent e-mail: " the Rietveld refinement of pseudosymmetric structures can cause some artefacts. Does someone know some literature, where these artefacts are explained in detail? Especially problems of the Rietveld refinement of pseudosymmetric sodalites (pseudo centered structures, pseudo cubic structures, significant deviation of bond length (...)) are welcome."
I would also be interested by this topic. Best regards, -Patrick ------ Patrick H.J. Mercier, Ph.D., P.Phys., ing. jr Canadian Government Laboratory Visiting Fellow National Research Council Canada Institute for Chemical Process and Environmental Technology 1200 Montreal Road, Building M-12, Room 211 Ottawa, Ontario, Canada K1A 0R6 Tel: (613) 993-7752 Fax: (613) 991-2384 E-mail: [EMAIL PROTECTED] -----Original Message----- From: Friedrich W. Karau [mailto:[EMAIL PROTECTED] Sent: Monday, November 22, 2004 8:51 AM To: [EMAIL PROTECTED] Dear all, the Rietveld refinement of pseudosymmetric structures can cause some artefacts. Does someone know some literature, where these artefacts are explained in detail? Especially problems of the Rietveld refinement of pseudosymmetric sodalites (pseudo centered structures, pseudo cubic structures, significant deviation of bond length (...)) are welcome. Further I am interested in your opinion about the "Distance Least Squares Procedure" to avoid these artefacts. Thank you in advance Friedrich -- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + Friedrich W. Karau email: [EMAIL PROTECTED] + + LMU - Muenchen Tel.: (+49) (0)89 - 2180-77449 + + Butenandtstraße 5-13, Haus D mobil: 0179 6647667 + + 81377 Muenchen Fax: (+49) (0)89 - 2180-77440 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
