Table 1. Crystal data and structure refinement for ilmajokite.
| Crystal data | |
| Chemical formula | Ba0.45H44.25Ce1.04K0.55Na5.62O76.74Si18.76Ti6 |
| M r | 2445.37 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 296 |
| a, b, c (Å) | 35.908 (5), 27.784 (3), 33.126 (4) |
| β (°) | 96.494 (3) |
| V (Å3) | 32836 (7) |
| Z | 16 |
| Radiation type | Mo Kα |
| μ (mm−1) | 1.79 |
| Crystal size (mm) | 0.15 × 0.08 × 0.04 |
| Data collection | |
| Diffractometer | Bruker Kappa APEX DUO |
| Absorption correction | Multi-scan |
| No. of measured, independent, observed [I > 2σ(I)] reflections | 108441, 21527, 14797 |
| R int | 0.130 |
| θmax (°) | 22.7 |
| (sin θ/λ)max (Å−1) | 0.543 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.081, 0.264, 0.97 |
| No. of parameters | 1847 |
| No. of restraints | 18 |
| H-atom treatment | H-atom parameters not defined |
| w = 1/[σ2(F o 2) + (0.1738P)2 + 608.3564P] where P = (F o 2 + 2F c 2)/3 | |
| Δρmax, Δρmin (e Å−3) | 1.89, −2.80 |