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In Table II, the fractional coordinates of Mg and Mn ions in MgMn2O4 are wrong. The corrected coordinates and related fitting parameters for MgMn2O4 are as below.
Oxides (Space group) | Atom | Site | Occupancy | x | y | z | B (Å2) | U (Å2) |
---|---|---|---|---|---|---|---|---|
(b) MgMn2O4 (I41/amd) Vol. A-141-1 Sintered at 500 °C | Mg1 | 4b | 1 | 0 | 0 | 1/2 | 0.45(6) | 0.0057(7) |
Mn1 | 4b | 0 | 0 | 0 | 1/2 | 0.45 | 0.0057 | |
Mg2 | 8c | 0 | 0 | 1/4 | 1/8 | 0.59(2) | 0.0075(2) | |
Mn2 | 8c | 1 | 0 | 1/4 | 1/8 | 0.59 | 0.0075 | |
O | 16h | 1 | 0 | 0.2735(3) | 0.3664(2) | 0.8 (fixed) | 0.0101 |
This error arose from the mixture of the fractional coordinates of the origin choices 1 and 2. For the actual structure refinement by the Rietveld analysis, the origin choice 1 was adopted and the profile fitting was completely conducted without any errors. The error in Table II is a typing error, which does not change the fitting result and the outline of the discussion and the conclusion.