International
Tables for Crystallography Volume H Powder diffraction Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk © International Union of Crystallography 2018 |
International Tables for Crystallography (2018). Vol. H, ch. 3.4, p. 277
Section 3.4.4.2.2. DICVOL06 (Louër & Boultif, 2006
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The most recent of a series of versions, DICVOL14 is the successor of DICVOL04 (Boultif & Louër, 2004) and DICVOL06. DICVOL06 includes DICVOL04 with its optimized search procedure and an extended search in shells of volumes. DICVOL04 represented an improvement of DICVOL91. Among the features of DICVOL06 are:
No formal limits on the number of input Bragg peaks have been established but, for reliable indexing, it is recommended that 20 or more peaks (in the low-2θ region) are used.
Compared to DICVOL04/DICVOL06, DICVOL14 includes: an optimization of filters in the final stages of the convergence of the successive dichotomy process; an optimization and extension of scanning limits for the triclinic case; a new approach for zero-point offset evaluation; a detailed review of the input data from the resulting unit cells; and cell centring tests. DICVOL14 has been improved particularly for triclinic cases, which are generally the most difficult to solve with the dichotomy algorithm.
References
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