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Powder Diffraction - Spallation Neutron Source

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Disadvantage of Rietveld:<br />

Many non-structural parameters need to be fit<br />

Background<br />

– fixed<br />

– functions<br />

Peak shape<br />

– “fundamental parameters”<br />

– functions<br />

Lattice constants<br />

– zero correction<br />

– flat plate terms<br />

Scaling<br />

– Phase fractions<br />

Structural parameters<br />

– atom positions<br />

– occupancies<br />

– displacement parameters<br />

Preferential Orientation<br />

Absorption<br />

<strong>Powder</strong> diffraction offers fewer observations and worse<br />

peak-to-background than single crystal diffraction<br />

49

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