Calculated geometrical parameters using GGA.
| Parameters | Sn2MnTaO6 | Sn2FeTaO6 |
|---|---|---|
| 〈Ta–O〉 | 2.07 | 2.09 |
| 〈Mn/Fe–O〉 | 2.28 | 2.17 |
| 〈ω〉 (Mn/FeO6) | 33.99 | 35.35 |
| 〈ω〉 (TaO6) | 34.20 | 35.56 |
| Δd (TaO6) × 10−3 | 2.91 | 5.23 |
| Δd (Mn/FeO6) × 10−3 | 1.43 | 1.37 |
| E form | −3.35 | −7.62 |
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