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Methods, Problems and Solutions

Powder Diffraction Structure Solution Pathways

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Refer Also: [Powder Data Conversion Software] | [Peak Find/Profiling Software] | [Indexing Software] | [Unit Cell Refinement Software]

Example Solving of Structures from Powder Data:

(a hopefully growing list)

Don't let the following, contrived, run-throughs fool you. When you know the real answer in advance, it can give a false impression of the ease in performing structure solution from powder diffraction data. At present solving structures from powder diffraction data is highly non-trivial when compared to single crystal techniques.

As Marx (Karl not Groucho!) is attributed in saying, Science is often undervalued by industry and the public due to the ease and relative cheapness that original results can be reproduced after they are known.


The following example(s) should not be seen as a substitute for thinking for yourself. Or as a substitute for evaluating for yourself a robust set of software tools and techniques; and gaining the expertise that can allow you the maximum possible chance of solving structures in your particular area. The software tools mentioned are based on brevity and personal bias. At every point of the decision tree in solving a structure, the user must make decisions taking into account the nuances of the phase system being worked with.


Powder Structure Solution Examples


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