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RICICLE: A FORTRAN program to refine unit cell parameters of incommensurate structures

Published online by Cambridge University Press:  10 January 2013

R. I. Smith
R. I. Smith
Affiliation:
The ISIS Facility, Rutherford Appleton Laboratory, Chilton, DIDCOT, Oxfordshire, OX11 0QXUnited Kingdom
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Abstract

A FORTRAN 77 program to perform full matrix least-squares refinement of unit cell parameters from powder diffraction patterns showing incommensurate supercell reflections is described. The code is completely general, being applicable to any crystal system, and can refine all three unit cell edges and angles and, in the presence of an incommensurate supercell, can refine the components of the modulation vector along all three reciprocal axes. Estimated standard deviations on all the refined parameters are calculated analytically.

Type
Research Article
Information
Powder Diffraction , Volume 8 , Issue 3 , September 1993 , pp. 168 - 172
Copyright
Copyright © Cambridge University Press 1993

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