A Rietveld Refinement Program for Real Time Powder Diffraction Patterns XND, Release 1.10

Revised on June, 26th 1995

Document not finished, please use the old xnd_doc.d file as the complete reference manual.

Contents

The program

Users Files

Usage and related info

Examples

Installation and structure of the program

Introduction

The program XND is devoted to the refinement of crystal structures starting from powder diffraction patterns. The structure refinement is carried out through the Rietveld (1969) method. The aim of the program is to provide an easy approach to the treatment of multiple diffraction patterns arising from a large number of physical and chemical problems as the study of phase transition and in the real time monitoring of reactions.

The source of the program is written in standard C language and great care has been taken to allow an easy implementation on different computer platforms. The present version can run on most of Unix stations (Sun, HP, IBM ...) and on PC compatibles (80286 or higher), it was also run on Powermac and on VAX.

The main features of this version are:

References

The first description of this program was presented at the I.U.Cr. Sat. Meeting, "Powder Diffractometry" kept in Toulouse in July 1990 (Bérar,1990).

Credits

Numerous people have been concerned by previous releases and have participated to the debugging. The incommensurate modulation were introduced for friends in my previous laboratory ( CPS-ECP); D. Grebille (CRISMAT) and G. Baldinnozzi (ECP) have corrected the calculation of the satelites. GB is also responsable for some improvments in the documentation being at the origin of the new document.

Author

J.-François Bérar

Laboratoire de Cristallographie - CNRS,

BP 166, 38042 Grenoble CEDEX 09, France

e-mail: berar@rx-crg1.polycnrs-gre.fr