| Species | Ion | s | p | d | Total | Charge (e) | Spin (μB) |
| O | 1 | 1.86 | 4.89 | 0.00 | 6.75 | −0.75 | 0.36 |
| Fe | 1 | 0.34 | 0.55 | 6.36 | 7.25 | 0.75 | 3.64 |