High-Pressure Crystallographic Experiments with a CCD-Detector

Armand Budzianowski, Andrzej Katrusiak

High-Pressure Crystallography NATO Science Series Volume 140, 2004, pp 101-112
Proceedings of the NATO Advanced Study Institute, Erice, Italy, 4-15 June 2003
Series: Nato Science Series II: (closed), Vol. 140
Katrusiak, Andrzej, McMillan, Paul (Eds.)
DOI: 10.1007/978-1-4020-2102-2_7

Cover of the book: "High Pressure Crystallography" Eds.:. A. Katrusiak, P. McMillan

Cover of the book: „High Pressure Crystallography” Eds.:. A. Katrusiak, P. McMillan

ISBN: 978-1-4020-1954-8 (Print) 978-1-4020-2102-2 (Online)


As nowadays CCD detectors have become routine tools for X-ray diffraction structure determinations, they are increasingly available in X-ray laboratories and are also more often applied in high-pressure studies. For high-pressure experiments, when the sample crystal is enclosed in the diamond-anvil cell (DAC), the diffractometers equipped with CCD detectors have certain advantages and also some disadvantages, when compared to the diffractometers with point detectors. CCD-detectors are convenient, because they allow data collections to be carried out without prior determinations of the crystal orientation matrix (UB matrix). When a diffractometer with a point detector is used, the UB matrix must be determined before the data collection [1]. The determination of the UB matrix is often troublesome from a set of few reflections located with a point detector, while the CCD detector considerably facilitates this task: in most cases the reflections from the diamond anvils and of the DAC beryllium discs can be sorted out and then the unit cell of the sample crystal can be immediately found automatically from large data sets or by using procedures for visualizing the nodes of the reciprocal lattice; these procedures and 3dimmesional reflection profiles available from 2-D detectors are also very efficient for accessing the quality of the sample. Another advantage of CCD detectors is the speed of data collection, which is much quicker than the procedures of point-detector diffractometers measuring reflections one by one. CCD detectors also record all the reciprocal-space “volume”, not only the reflections. This information is indispensable for investigating phase transitions, structural disorder (diffused scattering), and for the inspection of background.

License Number for Web Site Publication: 3351260430770


  1. Busing, W.R. and Levy, H.A. (1967) Angle calculations for 3- and 4- circle X-ray and neutrons diffractometers, Acta. Cryst. 22, 457–464.CrossRef
  2. Finger, L.W. and King, H.E. (1978) A revised method of operation of the single-crystal diamond cell and refinement of the structure of NaCI at 32 kbar, Am. Miner. 39, 337–342.
  3. Merrill, L. and Bassett, W.A. (1974) Miniature diamond anvil pressure cell for single crystal X-ray diffraction studies, Rev. Sci. Instrum. 45, 290–294. CrossRef
  4. King, H.E.Jr. and Finger, L.W. (1979) Diffracted beam crystal centering and its application to high-pressure crystallography, J. Appl. Cryst. 12, 374–378. CrossRef
  5. Hamilton, W.C. (1974) Angle settings for four-circle diffractometers, International tables for X-ray crystallography, Vol. IV, Birmingham: Kynoch Press (Present distributor: Kluwer Academic Publishers, Dordrecht). Pp. 273–284.
  6. Dera, P. and Katrusiak, A. (1999) Diffractometric crystal centring, J. Appl. Cryst. 32, 510–515. CrossRef
  7. King, H.E.Jr. (1981) High-Pressure Crystallography with a CAD-4, Enraf-Nonius, Delft.
  8. Katrusiak, A. and Ryan, T.W. (1988) Homogeneity of graphite-monochromated X-ray beams, Acta Cryst. A44, 623–627. CrossRef
  9. Katrusiak, A. (2004) High-pressure single crystal diffractometery with laboratory X-ray sources, in HighPressure Crystallography (Eds. A. Katrusiak & P.F. McMillan), Kluwer Academic Publishers, Dordrecht, pp. 57–68.

Download PDF:

One thought on “High-Pressure Crystallographic Experiments with a CCD-Detector

  1. w co zainwestować 5000 says:

    Hej ! Coś hosting szwankuje, strona przestaje działać co
    jakiś czas.

Comments are closed.