For a cubic phase, and Bragg's law givesThe first six FCC-allowed squared-index sums are , from indices all odd or all even. The labels1–6 are thereforeRemember that the plot reports , not . The first peak givesThe last peak provides an independent estimate,Thus is appropriate to the supplied precision. The two estimates differ by about ; high-angle data are less sensitive to a fixed angular error, so the estimate is useful for the composition calculation. The printed angles do not justify many more significant figures or an exact fit of all six positions.
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