Mathematics

2004-11-04 Thread dbetan
Hello ! I need papers about the mathematical aspects of Rietveld refinement. In my countyr (Colombia) the info is low. Thanks a lot Best regards

Mathematics

2004-11-04 Thread Von Dreele, Robert B.
Try the GSAS Manual - a lot is in there. Bob Von Dreele From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Sent: Thu 11/4/2004 10:19 AM To: [EMAIL PROTECTED] Hello ! I need papers about the mathematical aspects of Rietveld refinement. In my countyr (Colombia)

Re: Mathematics

2004-11-04 Thread Anna Llobet
Hi You might find interesting the book The Rietveld Method (International Union of Crystallography Monographs on Crystallography 5) by R.A. Young A quick search in www.amazon.com will give you more info.

how much is too much?

2004-11-04 Thread Juraj Majzlan ([EMAIL PROTECTED])
Dear Rietvelders, I am working on a structure of a ferric sulfate, with triclinic symmetry and 50 atoms in the unit cell. We have both X-ray synchrotron and neutron data. At the moment, I am using constraints to keep the O-H bond distances and H-O-H angles within reasonable range. One of the

RE: Mathematics

2004-11-04 Thread Peter Zavalij
Or newer book Fundamentals of Powder Diffraction and Structural Characterization of Materialsat http://www.springeronline.com/sgw/cda/frontpage/0,0,4-0-22-33289750-0,0.html?referer=www.springeronline.com/isbn/1-4020-7365-8

RE: Mathematics - Fundamentals of Powder Diffraction and

2004-11-04 Thread Lachlan Cranswick
Or newer book Fundamentals of Powder Diffraction and Structural Characterization of Materials at http://www.springeronline.com/sgw/cda/frontpage/0,0,4-0-22-33289750-0,0.html ?referer=www.springeronline.com/isbn/1-4020-7365-8 I am in the process of writing a review of Fundamentals of Powder

Re: Mathematics - Fundamentals of Powder Diffraction and

2004-11-04 Thread Kaye Savage
I had our library purchase this book and have been finding it very helpful! It has very clear examples and descriptions. Kaye Savage Dept. of Earth and Environmental Sciences Vanderbilt University VU Station B351705 phone: 615-322-2986 Nashville TN 37235 fax: 615-322-2138 On Nov 4,

Re: how much is too much?

2004-11-04 Thread Armel Le Bail
My question is: Since I am already using the constraints, therefore somewhat imposing my solution on the structure, can I add more complexity to the refinement, using the results of ab initio calculations, and say that this is real? As you probably know already, too much is too much... Too