CCP14
Methods, Problems and Solutions
GSAS (General Structure Analysis System) Rietveld powder diffraction and Single Crystal software
GSAS and refining individual cell parameters
The CCP14 Homepage is at http://www.ccp14.ac.uk
[The reference to use for GSAS in any resulting publications is:
A.C. Larson and R.B. Von Dreele, "General Structure Analysis System
(GSAS)", Los Alamos National Laboratory Report LAUR 86-748 (1994).]
Via
Rietveld Mailing List
From: "Riccardo Vivani" [[email protected]]
To: "Rietveld Mailing list" [[email protected]]
Subject: GSAS and cell parameters refinement
Date: Tue, 22 May 2001 09:24:45 +0200
Dear all,
Is it possible, in GSAS, to refine only one (or two...) of the cell
parameters? If yes,
is there anyone that can explain me how to do?
Thank you very much
Riccardo Vivani
Dipartimento di Chimica
Perugia - ITALY
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Date: Tue, 22 May 2001 09:57:51 +0100 (BST)
From: Jonathan Burley [[email protected]]
To: Rietveld Mailing list [[email protected]]
Subject: Re: GSAS and cell parameters refinement
Dear Riccardo,
You can do this indirectly by fixing (y l o l f) the parameters
you wish to keep constant. I believe that RM11, RM22 and RM33 are likely
to correspond to you lattice parameters, and the cross terms to your
angles. However my memory is hazy, but if you have a quick play about it
should become clear.
Jonathan.
*****************************************************************
* Jonathan Burley *
* Inorganic Chemistry Laboratories *
* South Parks Road *
* Oxford *
* OX1 3QR *
* (01865) (2)72602 *
* e-mail : [email protected] *
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