Measurement evidence
Quinone-Based Conducting Three-Dimensional Metal-Organic Framework as a Cathode Material for Lithium-Ion Batteries · Dong H., Gao H., Geng J. et al. · Journal of Physical Chemistry C · 2021 · 20814-20820
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode
XRD patterns of pristine, discharged 1.5 V and charged 3.5 V electrodes.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Crystallinity after charge/discharge | no obvious changes in diffraction peaks; good crystallinity preserved | — | — | Text Qualitative | 20818 · Results and Discussion · Figure S11 |
as-prepared (NBu4)2Fe2(DHBQ)3 powder/solid · Powder
Powder XRD pattern compared with simulated data; Rietveld refinement used to assign cubic I-43d structure and unit cell.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Atomic coordinate set | Fe1 16c 0.6222/0.6222/0.6222; O1 48e 0.6158/0.7125/0.6245; O2 48e 0.5311/0.6316/0.6172; C1 48e 0.5622/0.7337/0.6227; C2 48e 0.5115/0.6874/0.6201; C3 48e 0.4540/0.7039/0.6216; H3 48e 0.4233/0.6739/0.6220 | — | — | SI Table Exact Reported | S5 · Supporting Information · Table S2 |
| Cubic unit-cell parameter a | a = 22.302 A | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure 2; Table S2 |
| Rietveld Rp | 1.44% | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure 2a |
| Rietveld Rwp | 2.26% | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure 2a |
| Space group assignment | cubic I-43d | — | — | Text Qualitative | 20816 · Results and Discussion · Figure 2; Table S2 |
| Network topology | 3D chiral (10,3)-a net; two interpenetrated inverse chiral nets | — | — | Text Qualitative | 20816 · Results and Discussion · Figure 2c |