Diffraction Structure — Revealing the effect of cobalt content and ligand exchange in the bimetallic Ni–Co MOF for stable supercapacitors with high energy density

Measurement evidence

Diffraction Structure

Revealing the effect of cobalt content and ligand exchange in the bimetallic Ni–Co MOF for stable supercapacitors with high energy density · Raissa, Wulan Septiani N.L., Wustoni S. et al. · Journal of Power Sources · 2024 · 234423

2 measurement groups · 22 results

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

Powder XRD and Le Bail refinement

X-ray diffraction and scattering

KNiCoPO4 powder · Powder

Compared with orthorhombic KNiPO4.H2O reference; Pmn21 space group

Context: MOF-derived phosphate powder
Measurement source: p008 · 3.3 · Fig. 5a; Fig. S8a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
KNiCoPO4 lattice parameter a	a = 5.551869 Angstrom	—	—	Text Exact Reported	p008 · 3.3 · Fig. S8a
KNiCoPO4 lattice parameter b	b = 8.238954 Angstrom	—	—	Text Exact Reported	p008 · 3.3 · Fig. S8a
KNiCoPO4 lattice parameter beta	beta = 90.000008 deg	—	—	Text Exact Reported	p008 · 3.3 · Fig. S8a
KNiCoPO4 lattice parameter c	c = 4.753798 Angstrom	—	—	Text Exact Reported	p008 · 3.3 · Fig. S8a
KNiCoPO4 phosphate phase assignment	single-phase orthorhombic KNiPO4.H2O-type compound, Pmn21	—	—	Text Qualitative	p008 · 3.3 · Fig. 5a

Powder XRD with Cu-Kalpha radiation; Le Bail refinement for lattice parameters

X-ray diffraction and scattering

Ni-M/NiCo-M/Co-M powder comparison series · Powder

Miniflex 300/600, lambda = 1.54059 Angstrom, scan rate 0.02 deg s^-1

Context: pristine MOF powder series
Measurement source: p003 · 2.3 · Fig. 1a; Fig. S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Co-M Le Bail Rwp	4.55 %	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
Ni-M Le Bail Rwp	10.62 %	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (10:1) Le Bail Rwp	8.18 %	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (1:1) Le Bail Rwp	6.04 %	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (1:10) Le Bail RwpMarked as a best value within this paper	4.28 %	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
Co-M Le Bail lattice vector	a=17.475267 A; b=12.959202 A; c=6.560707 A; beta=111.990913 deg; monoclinic C2	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
Ni-M Le Bail lattice vector	a=17.270933 A; b=12.830569 A; c=6.509915 A; beta=111.530106 deg; monoclinic C2	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (10:1) Le Bail lattice vector	a=17.267408 A; b=12.832112 A; c=6.495827 A; beta=111.422539 deg; monoclinic C2	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (1:1) Le Bail lattice vector	a=17.35055 A; b=12.874098 A; c=6.524485 A; beta=111.649162 deg; monoclinic C2	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (1:10) Le Bail lattice vector	a=17.420115 A; b=12.924491 A; c=6.545642 A; beta=111.987656 deg; monoclinic C2	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
Co-M Le Bail crystal volume	1377.673828 A3	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
Ni-M Le Bail crystal volume	1341.914795 A3	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (10:1) Le Bail crystal volumeMarked as a best value within this paper	1339.888062 A3	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (1:1) Le Bail crystal volume	1354.587646 A3	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
NiCo-M (1:10) Le Bail crystal volume	1366.533691 A3	—	—	SI Table Exact Reported	p004 · Supplementary Information · Table S1
MOF series phase assignment	All samples accord with Ni-BTC and Co-BTC references; monoclinic C2 reflections (220), (111), (20-2), (11-2)	—	—	Text Qualitative	p004 · 3.1 · Fig. 1a
NiCo-M (10:1) has smallest lattice volumeMarked as a best value within this paper	smallest volume of the crystal lattice	—	—	Text Qualitative	p005 · 3.1 · Fig. 1b