powder X-ray diffraction with Pawley refinement and simulated stacking patterns
as-synthesised/activated Cu-CuPc black powder · Powder
Bruker D2 Phaser, Cu-Kalpha, 30 kV, 10 mA; Si low background holder; simulations in BIOVIA Material Studio Reflex
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Pawley refined a lattice parameter | a = b = 17.4905 A | 1.74905 nm | — | Text Exact Reported | S2 · Pawley refinement and PXRD pattern simulation |
| Pawley refined c lattice parameter | c = 3.91763 A | 0.391763 nm | — | Text Exact Reported | S2 · Pawley refinement and PXRD pattern simulation |
| Pawley Rp value | Rp = 5.72% | — | — | Text Exact Reported | S2 · Pawley refinement and PXRD pattern simulation |
| Pawley weighted R factor | Rwp = 3.08% | — | — | Text Exact Reported | S2 · Pawley refinement and PXRD pattern simulation |
| PXRD peak 001 | 2theta = 27.1 deg assigned to 001 facets | — | — | Text Rounded Reported | 1807 · main text · Figure 2 |
| PXRD peak 100 | 2theta = 4.9 deg indexed as 100 | — | — | Text Rounded Reported | 1807 · main text · Figure 2 |
| PXRD peak 110 | 2theta = 6.9 deg indexed as 110 | — | — | Text Rounded Reported | 1807 · main text · Figure 2 |
| PXRD peak 200 | 2theta = 9.9 deg indexed as 200 | — | — | Text Rounded Reported | 1807 · main text · Figure 2 |
| PXRD peak 300 | 2theta = 14.9 deg indexed as 300 | — | — | Text Rounded Reported | 1807 · main text · Figure 2 |