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CCP14

Tutorials and Examples

Automated Crystal Structure Solution from Powder Diffraction Data Using EXPO

Basic run Through of Sirware EXPO - Inorganic Lab XRD Data

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [EXPO Tutorial Index]

This example uses Li0.92Ti2.88O6 as published in (I.E. Grey, L. M. D. Cranswick, C. Li, L. A. Bursill, and J. L. Peng, "New Phases Formed in the Li-Ti-O System under Reducing Conditions", Journal of Solid State Chemistry, 138, 74-86 (1998)).


It should be noted that this structure was originally solved by manual interpretation of a 3D Patterson map generated by Shelx76.

Also refer to Armel LeBail's Tutorial on solving structures from powder data

Starting Information

The starting information that is normally known before starting EXPO is:


From either an Icon in MS-Windows (or typing expo on UNIX command line), run expo.






[Tutorials page] | [EXPO Tutorial Index]

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