powder X-ray diffraction (PXRD) with Rietveld refinement
Lu-HHTP black powder · Powder
PXRD used to refine average disordered Lu-HHTP structure; SI instrument Cu Kalpha radiation lambda = 1.5418 Angstrom at 298 K, scan range 2-40 deg
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Interlayer distanceMarked as a best value within this paper | 3.20 Angstrom | 0.32 nm | — | Text Exact Reported | 2 · Results and Discussion - Synthesis and Characterization · Figure 1D |
| Lattice parameter a | a = b = 21.884653 Angstrom | 2.1884653 nm | — | SI Table Exact Reported | 4 · 2. Supplementary Figures and Tables · Table S1 |
| Lattice parameter c | c = 6.045701 Angstrom | 0.6045701 nm | — | SI Table Exact Reported | 4 · 2. Supplementary Figures and Tables · Table S1 |
| Lu coordination number | central metal Lu is seven-coordinated | — | — | Text Exact Reported | 2 · Results and Discussion - Synthesis and Characterization · Figure 1B |
| PXRD (001) reflection position | weak and broad peak at around 27.9 deg 2theta | — | around | Text Approximate | 2 · Results and Discussion - Synthesis and Characterization · Figure 1D |
| Lu-HHTP layered structure assignment | two-dimensional layered stacking structure with hexagonal channels | — | — | Text Qualitative | 2 · Results and Discussion - Synthesis and Characterization · Figure 1A |
| Rietveld Rp | Rp = 3.54% | — | — | Text Exact Reported | 2 · Results and Discussion - Synthesis and Characterization · Figure 1D |
| Rietveld Rwp | Rwp = 4.58% | — | — | Text Exact Reported | 2 · Results and Discussion - Synthesis and Characterization · Figure 1D |
| Space group | P6cc | — | — | SI Table Exact Reported | 4 · 2. Supplementary Figures and Tables · Table S1 |