International
Tables for
Crystallography
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 3.4, p. 278

Section 3.4.4.5.2. X-CELL

A. Altomare,a* C. Cuocci,a A. Moliternia and R. Rizzia

aInstitute of Crystallography – CNR, Via Amendola 122/o, Bari, I-70126, Italy
Correspondence e-mail:  angela.altomare@ic.cnr.it

3.4.4.5.2. X-CELL

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This commercial program is part of the Materials Studio suite from Accelrys (Neumann, 2003[link]). To perform an exhaustive search, like DICVOL, the program uses the successive-dichotomy approach. Its principal features are:

  • (1) the user can define how many impurity lines can be tolerated;

  • (2) a search for the zero-point shift of the diffraction pattern; and

  • (3) systematic absences are taken into account.

The program is described as `virtually exhaustive'; it is expected to work well when faced with missing lines, impurities and errors.

References

Neumann, M. A. (2003). X-cell: a novel indexing algorithm for routine tasks and difficult cases. J. Appl. Cryst. 36, 356–365.Google Scholar








































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