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Powder Diffraction - Spallation Neutron Source

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Limitations of Rietveld<br />

Rietveld can only discern parameters that have effects on the<br />

powder diffraction pattern<br />

– Cannot separate some effects ever<br />

• Absolute configuration<br />

• Magnetic moment directions unless they break symmetry<br />

If two parameters have approximately the same effect on the<br />

powder diffraction pattern, they correlate and they cannot be<br />

differentiated (e.g. occupancies & displacement parameters)<br />

50

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