Table 1.
Unit Cell Parameters Taken from Synchrotron Rietveld Refinements and Occupancies and Impurity Weight Fractions of Taken from Joint Neutron and Synchrotron Rietveld Refinements
(%) | (Å) | (Å) | vol (Å3) | 3f Fe occ | 3f Mn occ | 3g Mn occ | 3g Fe occ | (wt %) | (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) |