Table 1. Experimental details.
| Crystal data | |
| Chemical formula | K0.75[FeII 3.75FeIII 1.25(HPO3)6]·0.5H2O |
| M r | 797.45 |
| Crystal system, space group | Trigonal, P
c1 |
| Temperature (K) | 100 |
| a, c (Å) | 10.1567 (5), 9.2774 (6) |
| V (Å3) | 828.82 (8) |
| Z | 2 |
| Radiation type | Mo Kα |
| μ (mm−1) | 5.14 |
| Crystal size (mm) | 0.29 × 0.05 × 0.04 |
| Data collection | |
| Diffractometer | Agilent SuperNova |
| Absorption correction | Analytical (CrysAlis PRO; Agilent, 2014 ▸) |
| T min, T max | 0.423, 0.845 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 5132, 647, 618 |
| R int | 0.026 |
| (sin θ/λ)max (Å−1) | 0.664 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.026, 0.061, 1.19 |
| No. of reflections | 647 |
| No. of parameters | 54 |
| H-atom treatment | All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) | 0.8, −0.50 |