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. Author manuscript; available in PMC: 2024 Sep 5.
Published in final edited form as: ACS Appl Mater Interfaces. 2018 Feb 19;10(8):7208–7213. doi: 10.1021/acsami.7b16988

Table 1.

Unit Cell Parameters Taken from Synchrotron Rietveld Refinements and Occupancies and Impurity Weight Fractions of (Mn0.5Fe0.5)2δP0.5Si0.5 Taken from Joint Neutron and Synchrotron Rietveld Refinements

δ Rwp (%) a (Å) c (Å) vol (Å3) 3f Fe occ 3f Mn occ 3g Mn occ 3g Fe occ (Mn,Fe)3Si (wt %) SiO2 (wt %)
0 15.90 6.03153(3) 3.47789(3) 109.572(2) 0.884(6) 0.111(6) 0.969(6) 0.036(6) 23.3(2) 2.07(6)
0.06 12.11 6.03929(3) 3.47151(2) 109.653(1) 0.890(6) 0.098(7) 0.962(7) 0.040(6) 20.4(2) 2.16(4)
0.12 10.82 6.05463(4) 3.45616(4) 109.723(2) 0.898(7) 0.096(7) 0.944(7) 0.052(7) 14.8(2) 2.22(3)