Diffraction Structure — Metal-organic framework-mediated synthesis of LiNi0.5Mn1.5O4: Tuning the Mn3+ content and electrochemical performance by organic ligands

6 measurement groups · 54 results

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

XRD with Rietveld refinement; ICP-OES/EDS composition; Raman support

Raman spectroscopy X-ray diffraction and scattering Elemental microanalysis and mapping Bulk elemental and compositional analysis

BCA-LNMO powder · Powder

XRD using Cu Kalpha radiation, scanning rate 5 deg min-1 between 10 and 80 deg; Rietveld refined values in Table 1.

Context: derived LNMO powder
Measurement source: 5-6 · 3. Results and discussion · Fig. 4; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ICP/EDS Li:Ni:Mn atomic ratio	1.09:0.48:1.50	—	—	Table Exact Reported	6 · Table 1 · Table 1
ICP-estimated empirical formula	Li1.093Ni0.497Mn1.5O4	—	—	Text Exact Reported	7 · 3. Results and discussion
Rietveld lattice parameter a	8.1793	—	—	Table Exact Reported	6 · Table 1 · Table 1
Rietveld Rp	10.2	—	—	Table Exact Reported	6 · Table 1 · Table 1
I311/I400 intensity ratio	1.041	—	—	Table Exact Reported	6 · Table 1 · Table 1
overall Mn3+ content	38.0	—	—	Table Exact Reported	6 · Table 1 · Table 1
surface Mn3+ content	64.1	—	—	Table Exact Reported	6 · Table 1 · Table 1
rock-salt impurity peak ratio I43.6/I44.3	4.16:100	—	—	Text Exact Reported	5 · 3. Results and discussion · Fig. 4
space-group assignment	Fd-3m disordered spinel	—	—	Text Qualitative	5-6 · 3. Results and discussion · Fig. 4; Fig. 5

XRD with Rietveld refinement; ICP-OES/EDS composition; Raman support

Raman spectroscopy X-ray diffraction and scattering Elemental microanalysis and mapping Bulk elemental and compositional analysis

DTA-LNMO powder · Powder

XRD using Cu Kalpha radiation, scanning rate 5 deg min-1 between 10 and 80 deg; Rietveld refined values in Table 1.

Context: derived LNMO powder
Measurement source: 5-6 · 3. Results and discussion · Fig. 4; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ICP/EDS Li:Ni:Mn atomic ratio	1.06:0.49:1.50	—	—	Table Exact Reported	6 · Table 1 · Table 1
ICP-estimated empirical formula	Li1.063Ni0.499Mn1.5O4	—	—	Text Exact Reported	7 · 3. Results and discussion
Rietveld lattice parameter a	8.1721	—	—	Table Exact Reported	6 · Table 1 · Table 1
Rietveld Rp	8.7	—	—	Table Exact Reported	6 · Table 1 · Table 1
I311/I400 intensity ratio	0.991	—	—	Table Exact Reported	6 · Table 1 · Table 1
overall Mn3+ content	15.8	—	—	Table Exact Reported	6 · Table 1 · Table 1
surface Mn3+ content	51.8	—	—	Table Exact Reported	6 · Table 1 · Table 1
rock-salt impurity peak ratio I43.6/I44.3	3.57:100	—	—	Text Exact Reported	5 · 3. Results and discussion · Fig. 4
space-group assignment	Fd-3m disordered spinel	—	—	Text Qualitative	5-6 · 3. Results and discussion · Fig. 4; Fig. 5

XRD with Rietveld refinement; ICP-OES/EDS composition; Raman support

Raman spectroscopy X-ray diffraction and scattering Elemental microanalysis and mapping Bulk elemental and compositional analysis

OBA-LNMO powder · Powder

XRD using Cu Kalpha radiation, scanning rate 5 deg min-1 between 10 and 80 deg; Rietveld refined values in Table 1.

Context: derived LNMO powder
Measurement source: 5-6 · 3. Results and discussion · Fig. 4; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ICP/EDS Li:Ni:Mn atomic ratio	1.05:0.48:1.50	—	—	Table Exact Reported	6 · Table 1 · Table 1
ICP-estimated empirical formula	Li1.053Ni0.498Mn1.5O4	—	—	Text Exact Reported	7 · 3. Results and discussion
Rietveld lattice parameter a	8.1751	—	—	Table Exact Reported	6 · Table 1 · Table 1
Rietveld Rp	10.1	—	—	Table Exact Reported	6 · Table 1 · Table 1
I311/I400 intensity ratio	0.997	—	—	Table Exact Reported	6 · Table 1 · Table 1
overall Mn3+ content	17.0	—	—	Table Exact Reported	6 · Table 1 · Table 1
surface Mn3+ content	55.1	—	—	Table Exact Reported	6 · Table 1 · Table 1
rock-salt impurity peak ratio I43.6/I44.3	3.32:100	—	—	Text Exact Reported	5 · 3. Results and discussion · Fig. 4
space-group assignment	Fd-3m disordered spinel	—	—	Text Qualitative	5-6 · 3. Results and discussion · Fig. 4; Fig. 5

XRD with Rietveld refinement; ICP-OES/EDS composition; Raman support

Raman spectroscopy X-ray diffraction and scattering Elemental microanalysis and mapping Bulk elemental and compositional analysis

PTA-LNMO powder · Powder

XRD using Cu Kalpha radiation, scanning rate 5 deg min-1 between 10 and 80 deg; Rietveld refined values in Table 1.

Context: derived LNMO powder
Measurement source: 5-6 · 3. Results and discussion · Fig. 4; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ICP/EDS Li:Ni:Mn atomic ratio	1.01:0.49:1.50	—	—	Table Exact Reported	6 · Table 1 · Table 1
ICP-estimated empirical formula	Li1.010Ni0.496Mn1.5O4	—	—	Text Exact Reported	7 · 3. Results and discussion
Rietveld lattice parameter a	8.171	—	—	Table Exact Reported	6 · Table 1 · Table 1
Rietveld Rp	11.6	—	—	Table Exact Reported	6 · Table 1 · Table 1
I311/I400 intensity ratio	0.934	—	—	Table Exact Reported	6 · Table 1 · Table 1
overall Mn3+ content	15.1	—	—	Table Exact Reported	6 · Table 1 · Table 1
surface Mn3+ content	42.8	—	—	Table Exact Reported	6 · Table 1 · Table 1
rock-salt impurity peak ratio I43.6/I44.3	2.86:100	—	—	Text Exact Reported	5 · 3. Results and discussion · Fig. 4
space-group assignment	Fd-3m disordered spinel	—	—	Text Qualitative	5-6 · 3. Results and discussion · Fig. 4; Fig. 5

XRD with Rietveld refinement; ICP-OES/EDS composition; Raman support

Raman spectroscopy X-ray diffraction and scattering Elemental microanalysis and mapping Bulk elemental and compositional analysis

PTCDA-LNMO powder · Powder

XRD using Cu Kalpha radiation, scanning rate 5 deg min-1 between 10 and 80 deg; Rietveld refined values in Table 1.

Context: derived LNMO powder
Measurement source: 5-6 · 3. Results and discussion · Fig. 4; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ICP/EDS Li:Ni:Mn atomic ratio	1.07:0.50:1.50	—	—	Table Exact Reported	6 · Table 1 · Table 1
ICP-estimated empirical formula	Li1.074Ni0.499Mn1.5O4	—	—	Text Exact Reported	7 · 3. Results and discussion
Rietveld lattice parameter a	8.1702	—	—	Table Exact Reported	6 · Table 1 · Table 1
Rietveld Rp	8.83	—	—	Table Exact Reported	6 · Table 1 · Table 1
I311/I400 intensity ratio	0.922	—	—	Table Exact Reported	6 · Table 1 · Table 1
overall Mn3+ content	14.4	—	—	Table Exact Reported	6 · Table 1 · Table 1
surface Mn3+ content	36.7	—	—	Table Exact Reported	6 · Table 1 · Table 1
rock-salt impurity peak ratio I43.6/I44.3	2.75:100	—	—	Text Exact Reported	5 · 3. Results and discussion · Fig. 4
space-group assignment	Fd-3m disordered spinel	—	—	Text Qualitative	5-6 · 3. Results and discussion · Fig. 4; Fig. 5

XRD with Rietveld refinement; ICP-OES/EDS composition; Raman support

Raman spectroscopy X-ray diffraction and scattering Elemental microanalysis and mapping Bulk elemental and compositional analysis

TCA-LNMO powder · Powder

XRD using Cu Kalpha radiation, scanning rate 5 deg min-1 between 10 and 80 deg; Rietveld refined values in Table 1.

Context: derived LNMO powder
Measurement source: 5-6 · 3. Results and discussion · Fig. 4; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ICP/EDS Li:Ni:Mn atomic ratio	1.08:0.49:1.50	—	—	Table Exact Reported	6 · Table 1 · Table 1
ICP-estimated empirical formula	Li1.082Ni0.498Mn1.5O4	—	—	Text Exact Reported	7 · 3. Results and discussion
Rietveld lattice parameter a	8.1674	—	—	Table Exact Reported	6 · Table 1 · Table 1
Rietveld Rp	10.3	—	—	Table Exact Reported	6 · Table 1 · Table 1
I311/I400 intensity ratio	0.952	—	—	Table Exact Reported	6 · Table 1 · Table 1
overall Mn3+ content	13.6	—	—	Table Exact Reported	6 · Table 1 · Table 1
surface Mn3+ content	35.6	—	—	Table Exact Reported	6 · Table 1 · Table 1
rock-salt impurity peak ratio I43.6/I44.3	3.83:100	—	—	Text Exact Reported	5 · 3. Results and discussion · Fig. 4
space-group assignment	Fd-3m disordered spinel	—	—	Text Qualitative	5-6 · 3. Results and discussion · Fig. 4; Fig. 5