Diffraction Structure

PXRD with Le Bail fitting

Cu-HATN powder · Powder

Powder X-ray diffraction; Cu K alpha radiation; AA-stacked simulated structure compared with experiment.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
lattice parameter a	a = b = 29.953 Angstrom	—	—	Text Exact Reported	2 · Results and Discussion · Figure 2b
lattice parameter c	c = 3.340 Angstrom	—	—	Text Exact Reported	2 · Results and Discussion · Figure 2b
Le Bail Rp	1.33%	—	—	Text Exact Reported	2 · Results and Discussion · Figure 2b
Le Bail Rwp	1.76%	—	—	Text Exact Reported	2 · Results and Discussion · Figure 2b
PXRD (001) peak	27.38 deg	—	—	Text Exact Reported	2 · Results and Discussion · Figure 2b
PXRD (100) peak	3.36 deg	—	—	Text Exact Reported	2 · Results and Discussion · Figure 2b
PXRD (110) peak	5.94 deg	—	—	Text Exact Reported	2 · Results and Discussion · Figure 2b
PXRD (200) peak	6.91 deg	—	—	Text Exact Reported	2 · Results and Discussion · Figure 2b

Cu-HATN powder · Powder

TGA under N2 at 10 deg C min^-1; PXRD before/after 24 h soaking in carbonate electrolyte or water; variable-temperature PXRD.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PXRD after 24 h soaking	almost unchanged after soaking in electrolyte and aqueous solution for 24 h	—	—	Text Qualitative	4 · Results and Discussion · Figure S23
thermal stability threshold	stable up to 220 deg C	—	—	Text Rounded Reported	3 · Results and Discussion · Figures S20-S21