A probabilistic approach to space-group determination from powder diffraction data.
An algorithm for the determination of the space-group symmetry of a crystal from powder diffraction data, based upon probability theory, is described. Specifically, the relative probabilities of different extinction symbols are assessed within a particular crystal system. In general, only a small number of extinction symbols are relatively highly probable and a single extinction symbol is often significantly more probable than any other. Several examples are presented to illustrate this approach.
Markvardsen
A J
AJ
ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon OX11 0QX, England. a.j.markvardsen@rl.ac.uk
David
W I
WI
Johnston
J C
JC
Johnson
J C
JC
Shankland
K
K