Diffraction Structure — sp-Carbon Incorporated Conductive Metal-Organic Framework as Photocathode for Photoelectrochemical Hydrogen Generation

2 measurement groups · 10 results

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

Cu3HHAE2 single crystals for cRED · Single Crystal

cRED collected at 96 K with Timepix detector in video mode; processed by REDp/XDS, solved with SHELXT, refined against PXRD with Topas 6.1.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a=bMarked as a best value within this paper	a = b = 26.54 A	—	—	Text Exact Reported	5 · Structure Determination of Cu3HHAE2
unit-cell c / interlayer distanceMarked as a best value within this paper	c = 3.21 A	—	—	Text Exact Reported	5 · Structure Determination of Cu3HHAE2
unit-cell gamma angle	gamma = 120.0 deg	—	—	Text Exact Reported	5 · Structure Determination of Cu3HHAE2
interlayer distanceMarked as a best value within this paper	3.21 +/- 0.02 A	—	+/- 0.02 A	Text Exact Reported	3 · Structure characterisation · Figure 2a,b

as-synthesised Cu3HHAE2 powder/hexagonal rods · Powder

Cu-Kalpha radiation, transmission geometry at room temperature; experimental PXRD refined against model derived from cRED.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PXRD pi-pi stacking (001) peak	2theta = 27.9 deg	—	—	Text Rounded Reported	3 · PXRD analysis · Figure 2c
PXRD (100) peak	2theta = 3.8 deg	—	—	Text Rounded Reported	3 · PXRD analysis · Figure 2c
PXRD (200) peak	2theta = 7.6 deg	—	—	Text Rounded Reported	3 · PXRD analysis · Figure 2c
PXRD (210) peak	2theta = 10.1 deg	—	—	Text Rounded Reported	3 · PXRD analysis · Figure 2c
Rietveld profile factor Rp	Rp = 3.04 %	—	—	Text Exact Reported	3 · PXRD analysis · Figure 2c
Rietveld weighted profile factor Rwp	Rwp = 5.18 % in text; Figure 2 caption gives Rwp = 5.81 %	—	source inconsistency: 5.18% text vs 5.81% caption	Text Uncertain	3 · PXRD analysis · Figure 2c