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Figure 4
Phase fraction results from the mixed phase Rietveld refinements for samples containing 43 mol% (left) and 50 mol% (right) BF, with (a)–(c) and (d)–(f) corresponding to the unconstrained, parametric and weighted parametric Rietveld refinements. In (a) and (d) the refinement was conducted without constraints to the lattice parameters or scale factor and the results indicate that the entire gradient is cubic or mixed phase. In (b) and (e) the lattice parameters were constrained by a parametric refinement, which begins to show some separation between the rhombohedral and cubic regions along the gradient. However, there is a lot of noise in the rhombohedral region, which makes the boundary unclear. In (c) and (f) the restraints to the scale factor were introduced and this shows clear separation between the two phases.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 26| Part 5| September 2019| Pages 1638-1643
https://doi.org/10.1107/S1600577519007902
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