Powder X-ray diffraction with Pawley refinement and Materials Studio structure simulation
As-synthesised TPQG-Cu-MOF black powder · Powder
PXRD with Cu-target tube and graphite monochromator; AA and AB stacking models compared.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Pawley unit-cell a | a = b = 33.84 Angstrom | — | — | Text Exact Reported | p003 / 1693 · Preparation and characterizations of materials · Figure 1b |
| Pawley unit-cell c | c = 3.21 Angstrom | — | — | Text Exact Reported | p003 / 1693 · Preparation and characterizations of materials · Figure 1b |
| Pawley unit-cell gamma | gamma = 120 deg | — | — | Text Exact Reported | p003 / 1693 · Preparation and characterizations of materials · Figure 1b |
| PXRD 001 reflection position | 27.65 deg 2 theta | — | — | Text Exact Reported | p002 / 1692 · Preparation and characterizations of materials · Figure 1b |
| PXRD (110) reflection position | 5.20 deg 2 theta | — | — | Text Exact Reported | p002 / 1692 · Preparation and characterizations of materials · Figure 1b |
| PXRD 210 reflection position | 7.90 deg 2 theta | — | — | Text Exact Reported | p002 / 1692 · Preparation and characterizations of materials · Figure 1b |
| PXRD 220 reflection position | 10.55 deg 2 theta | — | — | Text Exact Reported | p002 / 1692 · Preparation and characterizations of materials · Figure 1b |
| PXRD 410 reflection position | 13.80 deg 2 theta | — | — | Text Exact Reported | p002 / 1692 · Preparation and characterizations of materials · Figure 1b |
| Pawley Rp | Rp = 3.22% | — | — | Text Exact Reported | p003 / 1693 · Preparation and characterizations of materials · Figure 1b |
| Pawley Rwp | Rwp = 4.17% | — | — | Text Exact Reported | p003 / 1693 · Preparation and characterizations of materials · Figure 1b |