Table 1. Experimental details.
| YCdMg 1/1-cAP | YCdMg 2/1-cAP | |
|---|---|---|
| Crystal data | ||
| Chemical formula | Y24Cd109.89Mg35.29 | Y90.40Cd432.91Mg177.41 |
| M r | 15344.63 | 61013.94 |
| Crystal system, space group | Cubic, I m\overline{3} | Cubic, P a\overline{3} |
| Temperature (K) | 100 | 298 |
| a (Å) | 15.4577 (1) | 25.0654 (1) |
| V (Å3) | 3693.47 (3) | 15747.9 (1) |
| Z | 1 | 1 |
| F(000) | 6660 | 26441 |
| D x (Mg m−3) | 6.899 | 6.434 |
| Radiation type | Mo Kα | Mo Kα |
| μ (mm−1) | 25.01 | 22.54 |
| Crystal size (mm) | 0.08 × 0.08 × 0.07 | 0.65 × 0.60 × 0.50 |
| Data collection | ||
| Diffractometer | MicroMax007HF - Saturn 724 HG | XtaLAB Synergy R, HyPix |
| Absorption correction | Multi-scan (CrysAlis PRO). Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. | Multi-scan (CrysAlis PRO). Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. |
| T min, T max | 0.505, 1.000 | 0.766, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 64 031, 2579, 2562 | 422 818, 5382, 5128 |
| R int | 0.029 | 0.037 |
| (sin θ/λ)max (Å−1) | 0.976 | 0.625 |
| Refinement | ||
| Refinement composition | Y14.18Cd64.95Mg20.86 | Y12.71Cd60.47Mg26.82 |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.022, 0.051, 1.25 | 0.038, 0.091, 1.17 |
| No. of reflections | 2579 | 5382 |
| No. of parameters | 76 | 438 |
| No. of restraints | 0 | 6 |
| Δρmax, Δρmin (e Å−3) | 2.37, −1.36 | 1.84, −1.36 |