powder X-ray diffraction, Co Kalpha radiation
black polycrystalline PTC-Fe 2D MOF powder/crystals · Powder
Room-temperature PXRD compared with DFT-simulated stacking arrangements.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| AB stacking shift | AB packing model with 25% shifting in X and Y directions | 25 % | — | Text Rounded Reported | 2-3 · Synthesis and structure · Fig. 1b |
| interlayer distance from PXRD | ~3.9 A | 0.39 nm | ~ | Text Approximate | 2 · Synthesis and structure · Fig. 1b |
| PXRD (001) stacking peak | 2theta = 26.0 deg | 26 deg 2theta | — | Text Rounded Reported | 2 · Synthesis and structure · Fig. 1b |
| PXRD (100) peak | 2theta = 8.8 deg | 8.8 deg 2theta | — | Text Rounded Reported | 2 · Synthesis and structure · Fig. 1b |
| PXRD (200) peak | 2theta = 17.6 deg | 17.6 deg 2theta | — | Text Rounded Reported | 2 · Synthesis and structure · Fig. 1b |
| PXRD (210) peak | 2theta = 21.7 deg | 21.7 deg 2theta | — | Text Rounded Reported | 2 · Synthesis and structure · Fig. 1b |
| hexagonal unit-cell a=b | a = b = ~11.7 A | 1.17 nm | ~ | Text Approximate | 2 · Synthesis and structure · Fig. 1b |