Abstract
The preliminary optical examination of crystalline specimens is interesting and useful in its own right and is a major tool still employed by mineralogists and geologists. However, in structure determinations with modern equipment, it is not uncommon nowadays to by-pass this step and proceed immediately with X-ray studies. This is because in most cases, the X-ray technique is straightforward and test data can be quickly scanned with a single-crystal X-ray diffractometer, Sects. 5.5 and 5.6, or with area detector (see Sect. 5.7), and the suitability and quality of the crystal assessed. There are other situations, however, where complications may arise, for example, because of an unusual crystal habit, Sect. 5.3.5, pseudosymmetry, Sects. 7.2.2, 7.5.4, and Sect. 8.5.3, or twinning, Sect. 5.10. In such cases, it might be possible to extract useful information from an optical examination of a crystal before the more detailed, costly and time-consuming X-ray methods are tried.
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Notes
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Similar to Geiger counters.
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Hamamatsu Photonics KK C10158DK.
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References
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Data Collection Services
The EPSC National Data Collection Service (University of Southampton) will collect, process, and optionally solve crystal structures (but there’s not much fun in that) for clients who supply suitable crystals. In a recent use of this service the following facilities were used
Diffractometer: Nonius Kappa CCD Area Detector (φ scans and ω scans to fill the asymmetric unit sphere)
Cell determination: DirAx (Duisenberg AJM (1992) J Appl Crystallogr 25:92)
Data collection: Collect (Data collection software, Hooft R, Nonius BV (1998))
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Absorption correction: SORTAV (Blessing RH (1995) Acta Crystallogr A51:33); idem., J Appl Crystallogr 30:421 (1997)
Structure solution: SHELXS-97 (Sheldrick GM (1990) Acta Crystallogr A46:467)
Structure refinement: SHELXL-97 (Sheldrick GM (1997) University of Göttingen)
Graphics: ORTEP3 for windows (Farrugia LJ (1997) J Appl Crystallogr 30:365)
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Ladd, M., Palmer, R. (2013). Examination of Single Crystals: Optical and X-Ray Diffraction Practice. In: Structure Determination by X-ray Crystallography. Springer, Boston, MA. https://doi.org/10.1007/978-1-4614-3954-7_5
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