Diffraction Structure — Redox-active conductive metal-organic framework with high lithium capacities at low temperatures

Measurement evidence

Diffraction Structure

Redox-active conductive metal-organic framework with high lithium capacities at low temperatures · Kumar Y., Kim T.H., Subiyanto I. et al. · Journal of Materials Chemistry A · 2024 · 21732-21743

1 measurement group · 9 results

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

PXRD with Pawley refinement and DFT structural model

X-ray diffraction and scattering Density functional theory

SKIER-5 cyan solid powder · Powder

Powder XRD with Cu Kalpha1 radiation; DFT model used to assign 1D P1 structure

Context: pristine framework powder
Measurement source: 21734 · Synthesis and materials characterization · Figure 1b,c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
lattice parameter a	a = 18.3083 Angstrom	—	—	Text Exact Reported	21734 · Synthesis and materials characterization · Figure 1c
lattice angle alpha	alpha = 95.8843 degrees	—	—	Text Exact Reported	21734 · Synthesis and materials characterization · Figure 1c
lattice parameter b	b = 13.0655 Angstrom	—	—	Text Exact Reported	21734 · Synthesis and materials characterization · Figure 1c
lattice angle beta	beta = 34.5212 degrees	—	—	Text Exact Reported	21734 · Synthesis and materials characterization · Figure 1c
lattice parameter c	c = 20.1072 Angstrom	—	—	Text Exact Reported	21734 · Synthesis and materials characterization · Figure 1c
lattice angle gamma	gamma = 91.8878 degrees	—	—	Text Exact Reported	21734 · Synthesis and materials characterization · Figure 1c
PXRD characteristic peaks	2theta = 8.5, 13.7, 21.2, 23.9, 25.6, 27.0, and 43.0 degrees	—	—	Text Rounded Reported	21734 · Synthesis and materials characterization · Figure 1b
Pawley refinement Rwp	Rwp = 3.39 percent	—	—	Text Exact Reported	21734 · Synthesis and materials characterization · Figure 1b,c
space groupMarked as a best value within this paper	P1	—	—	Text Exact Reported	21734 · Synthesis and materials characterization · Figure 1c