PXRD with Pawley refinement against DFT-optimised stacking models
as-prepared SJTU-201 powder · Powder
as-prepared powder; Cu Kalpha1 PXRD; refined lattice parameters reported
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| interlayer spacing | 3.47 A | — | — | Text Exact Reported | 5 · Crystalline Structures · Figure 2 |
| refined lattice parameters | a=b=11.3 A; c=3.56 A; alpha=beta=81 deg; gamma=90 deg | — | — | Text Exact Reported | 5 · Crystalline Structures · Figure 2 |
| adjacent-layer Rh-Rh distance | about 3.56 A | — | — | Caption Rounded Reported | 4 · Crystalline Structures · Figure 2 |
| Pawley Rp | 5.71% | — | — | Text Exact Reported | 5 · Crystalline Structures · Figure 2 |
| Pawley Rwp | 5.95% | — | — | Text Exact Reported | 5 · Crystalline Structures · Figure 2 |
| layer stacking assignment | inclined AA | — | — | Text Qualitative | 5 · Crystalline Structures · Figure 2 |