Powder X-ray diffraction with Pawley refinement
Pristine Cu-HHTQ black powder · Powder
Cu K-alpha irradiation; AA-stacked hexagonal model refined against experimental PXRD.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Hexagonal cell a and b | a = b = 25.41 A | — | — | Text Exact Reported | main p.2 / article p.24468 · Results and discussion · Figure 1c |
| Hexagonal cell c | c = 3.19 A | — | — | Text Exact Reported | main p.2 / article p.24468 · Results and discussion · Figure 1c |
| Interlayer distance from [001] PXRD reflection | about 3.2 A | — | — | Text Approximate | main p.2 / article p.24468 · Results and discussion · Figure 1c |
| Pawley refinement Rp | Rp = 2.03% | — | — | Text Exact Reported | SI S2 / rendered p003 · 1.2 Characterization Methods · Figure 1c |
| Pawley refinement Rwp | Rwp = 2.67% | — | — | Text Exact Reported | SI S2 / rendered p003 · 1.2 Characterization Methods · Figure 1c |
| PXRD [100] peak position | 4.0 degrees 2theta | — | — | Text Rounded Reported | main p.2 / article p.24468 · Results and discussion · Figure 1c |
| PXRD [200] peak position | 8.0 degrees 2theta | — | — | Text Rounded Reported | main p.2 / article p.24468 · Results and discussion · Figure 1c |
| PXRD [210] peak position | 10.6 degrees 2theta | — | — | Text Rounded Reported | main p.2 / article p.24468 · Results and discussion · Figure 1c |
| PXRD [220] peak position | 13.9 degrees 2theta | — | — | Text Rounded Reported | main p.2 / article p.24468 · Results and discussion · Figure 1c |