International Union of Crystallography, Journal of Applied Crystallography, 6(37), p. 957-966, 2004
DOI: 10.1107/s0021889804023982
Full text: Unavailable
Experimental powder diffraction diagrams, once indexed and decomposed into single diffraction intensities, can be submitted to statistical analysis for the determination of space-group symmetry. A new algorithm is illustrated, which is able to provide, on a quantitative basis, a probability value for each extinction symbol compatible with the previously established lattice symmetry. The algorithm has been implemented inEXPO2004[Altomare, Caliandro, Camalli, Cuocci, Giacovazzo, Moliterni & Rizzi (2004).J. Appl. Cryst.37, 1025–1028] and has been successfully tested using a large set of experimental data.