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q (i) = formal oxidation number; sof(i) = site occupation factor; CN(i) = classical coordination number; Q (i) = calculated charge; V (i) = calculated valence; ECoN(i) = effective coordination number.
| Cation | q (i)×sof(i) | CN(i) | ECoN(i) | V (i) | Q (i) | q (i)/Q (i) |
|---|---|---|---|---|---|---|
| (Fe/Co)1 | 2.57 | 4 | 4.00 | 2.48 | 2.57 | 1.00 |
| (Fe/Co)2 | 2.43 | 4 | 3.99 | 2.27 | 2.43 | 1.00 |
| K1 | 1.00 | 9 | 8.71 | 0.94 | 0.99 | 1.00 |
| P1 | 5.00 | 4 | 4.00 | 5.14 | 5.00 | 1.00 |
| P2 | 5.00 | 4 | 3.99 | 5.15 | 5.01 | 1.01 |
