Diffraction Structure — Atomic Ruthenium-Riveted Metal-Organic Framework with Tunable d-Band Modulates Oxygen Redox for Lithium-Oxygen Batteries

Measurement evidence

Diffraction Structure

Atomic Ruthenium-Riveted Metal-Organic Framework with Tunable d-Band Modulates Oxygen Redox for Lithium-Oxygen Batteries · Lv Q., Zhu Z., Ni Y. et al. · Journal of the American Chemical Society · 2022 · 23239-23246

2 measurement groups · 18 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

powder XRD with Pawley/Rietveld refinement

X-ray diffraction and scattering

Ni-HTP powder · Powder

Cu Kalpha radiation, Rigaku MiniFlex600; crystalline structure assignment

Measurement source: 2 · Characterization · Figures 1c, S4a, Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
a lattice parameter	21.78	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
b lattice parameter	21.78	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
c lattice parameter	15.0	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
cell volume	6162.74	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
crystal system	hexagonal	—	—	SI Table Qualitative	30 · Table S1 · Table S1
Rp refinement factor	0.85%	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
Rwp refinement factor	1.16%	—	—	SI Table Exact Reported	30 · Table S1 · Table S1

powder XRD with Pawley/Rietveld refinement

X-ray diffraction and scattering

NiRu-HTP powder · Powder

Cu Kalpha radiation, Rigaku MiniFlex600; crystalline structure assignment

Measurement source: 2 · Characterization · Figures 1c, Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
a lattice parameter	22.04	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
b lattice parameter	22.04	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
c lattice parameter	14.87	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
cell volume	6201.22	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
crystal system	hexagonal	—	—	SI Table Qualitative	30 · Table S1 · Table S1
Rp refinement factor	0.83%	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
Rwp refinement factor	1.07%	—	—	SI Table Exact Reported	30 · Table S1 · Table S1
XRD peak assigned to (001)	4.7 deg	—	—	Text Rounded Reported	2 · Characterization · Figure 1c
XRD peak assigned to (002)	9.4 deg	—	—	Text Rounded Reported	2 · Characterization · Figure 1c
XRD peak assigned to (004)	16.5 deg	—	—	Text Rounded Reported	2 · Characterization · Figure 1c
XRD peak assigned to (210)	12.4 deg	—	—	Text Rounded Reported	2 · Characterization · Figure 1c