Diffraction Structure — 1D Conductive Metal-Organic Framework-Enabled Dual-Parameter MEMS Gas Sensor for Thermal Runaway Monitoring

Measurement evidence

Diffraction Structure

1D Conductive Metal-Organic Framework-Enabled Dual-Parameter MEMS Gas Sensor for Thermal Runaway Monitoring · Liu X., Wu J., Li J. et al. · Advanced Functional Materials · 2026 · e11152

2 measurement groups · 14 results

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

Powder X-ray diffraction (Bruker D8 ADVANCE, Cu Kalpha, lambda = 0.154056 nm)

X-ray diffraction and scattering

CuBTA powder · Powder

2theta 5-80 deg, scan speed 5 deg/min

Context: Pristine CuBTA powder
Measurement source: p.3 · Results and Discussion, 2.1 · Figure 2d

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
d-spacing (021)	0.43 nm	—	—	Text Exact Reported	p.3 · Results and Discussion, 2.1 · Figure 2d
PXRD peak (021)	2theta = 20.58 deg; d = 0.43 nm	—	—	Text Exact Reported	p.3 · Results and Discussion, 2.1 · Figure 2d

Powder X-ray diffraction and structural simulation

X-ray diffraction and scattering

NiBTA powder · Powder

2theta 5-80 deg; P21/n simulated structural parameters reported for NiBTA

Context: Pristine NiBTA powder
Measurement source: p.3 · Results and Discussion, 2.1 · Figure 2c,d; Tables S1-S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
NiBTA atomic coordinates table	Fractional coordinates reported for Ni1, N1-N4, C1-C6, H1-H6	—	—	SI Table Exact Reported	SI p.29 · Supporting Tables · Table S2
NiBTA unit cell a	a = 7.65131 Å	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
NiBTA unit cell alpha	alpha = 90°	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
NiBTA unit cell b	b = 7.42934 Å	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
NiBTA unit cell beta	beta = 126.1573°	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
NiBTA unit cell c	c = 6.46994 Å	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
NiBTA unit cell gamma	gamma = 90°	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
NiBTA unit cell volume	V = 296.944318 Å3	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
NiBTA crystal system	Monoclinic	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
NiBTA space group	P21/n	—	—	SI Table Exact Reported	SI p.28 · Supporting Tables · Table S1
d-spacing (021)	0.43 nm	—	—	Text Exact Reported	p.3 · Results and Discussion, 2.1 · Figure 2d
PXRD peak (021)	2theta = 20.58 deg; d = 0.43 nm	—	—	Text Exact Reported	p.3 · Results and Discussion, 2.1 · Figure 2d