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. 2016 Sep 28;7:12772. doi: 10.1038/ncomms12772

Table 1. Refined structural parameters and agreement factors.

Space group R3c P4mm Cc P4mm
Statistical parameters Rwp=10.86; Rp=7.97; Rexp=3.80; GOF=2.86 Rwp=8.29; Rp=6.15; Rexp=3.79; GOF=2.19
Lattice parameters (Å) a=5.5883c=13.8438 a=3.8185c=4.4943 a=9.7914b=5.5829c=5.6240β=125.69° a=3.8188c=4.4946
Phase fraction 0.54(R3c)/0.46(P4mm) 0.56(Cc)/0.44(P4mm)

Results of the Rietveld refinements of the Bi0.68Pb0.32Fe0.655Mn0.025Ti0.32O3 powder composition, using mixture models with coexistence of rhombohedral R3c and tetragonal P4mm, and of monoclinic Cc and tetragonal P4mm. Reliability factors (R-factors) Rwp, Rp, Rexp and goodness-of-fit indicator (GOF) are given.