Diffraction Structure — Electrical Conductivity in a Porous, Cubic Rare-Earth Catecholate

Measurement evidence

Diffraction Structure

Electrical Conductivity in a Porous, Cubic Rare-Earth Catecholate · Skorupskii G., Dinca M. · Journal of the American Chemical Society · 2020 · 6920-6924

7 measurement groups · 11 results

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

PXRD after air exposure

Y6HOTP2 powder exposed to air · Powder

PXRD patterns of as-made Y6HOTP2 and same powder kept under air for two weeks or one month.

Atmosphere
air
Geometry
Powder PXRD
Context
pristine
Measurement source
SI p.S15 · Figure S8 · Fig. S8
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Air-exposure crystallinity lossProlonged air exposure leads to eventual loss of crystallinity, up to complete amorphization.Text
Qualitative
main p.6922 · Main text · Fig. S8

Powder X-ray diffraction (PXRD), Bruker D8, Cu Kalpha1,2

As-synthesised Eu6HOTP2 powder/crystals · Powder

Thin layer of material on zero-background silicon crystal plate.

Geometry
Reflection mode PXRD
Context
pristine
Measurement source
SI pp.S7-S8 · Powder X-ray diffraction · Fig. S4
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Eu6HOTP2 crystallinity and phase purityExcellent crystallinity and overall phase purity; very weak peaks near (111) assigned to ordered defects.Text
Qualitative
SI p.S8 · Powder X-ray diffraction · Fig. S4

Powder X-ray diffraction (PXRD), Bruker D8, Cu Kalpha1,2

As-synthesised Y6HOTP2 powder/crystals · Powder

Thin layer of material on zero-background silicon crystal plate.

Geometry
Reflection mode PXRD
Context
pristine
Measurement source
SI pp.S7-S8 · Powder X-ray diffraction · Fig. S4
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Y6HOTP2 crystallinity and phase purityExcellent crystallinity and overall phase purity; very weak peaks near (111) assigned to ordered defects.Text
Qualitative
SI p.S8 · Powder X-ray diffraction · Fig. S4

PXRD after conductivity measurement

Activated Y6HOTP2 pressed pellets, batch 1 · Pellet

Pressed pellet compared with original activated powder after electrical conductivity measurements.

Geometry
Pressed pellet PXRD
Context
pristine
Measurement source
SI p.S16 · Figure S9 · Fig. S9
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Crystallinity retained after conductivity measurementsMaterials retained crystallinity after electrical conductivity measurements.Text
Qualitative
SI p.S13 · Electrical conductivity measurements · Fig. S9

Single-crystal X-ray diffraction with Mo Kalpha radiation

As-synthesised Eu6HOTP2 powder/crystals · Powder

Low-temperature diffraction at 100(2) K; solved with SHELXT and refined with SHELXL-2018.

Temperature
100
Geometry
Single crystal 0.140 x 0.140 x 0.140 mm3
Context
pristine
Measurement source
SI p.S9 · Single crystal X-ray diffraction · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Eu6HOTP2 cubic lattice parameter a34.7822(6) Angstrom(6)SI Table
Exact Reported
SI p.S9 · Single crystal X-ray diffraction · Table S1
Eu6HOTP2 space groupFd-3mSI Table
Exact Reported
SI p.S9 · Single crystal X-ray diffraction · Table S1

Single-crystal X-ray diffraction with Mo Kalpha radiation

La6HOTP2 single crystal structural sample · Single Crystal

Low-temperature diffraction at 100(2) K; solved with SHELXT and refined with SHELXL-2018.

Temperature
100
Geometry
Single crystal 0.200 x 0.200 x 0.200 mm3
Context
pristine
Measurement source
SI p.S12 · Single crystal X-ray diffraction · Table S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
La6HOTP2 cubic lattice parameter a35.2393(17) Angstrom(17)SI Table
Exact Reported
SI p.S12 · Single crystal X-ray diffraction · Table S3
La6HOTP2 space groupFd-3mSI Table
Exact Reported
SI p.S12 · Single crystal X-ray diffraction · Table S3

Single-crystal X-ray diffraction with Mo Kalpha radiation

As-synthesised Y6HOTP2 powder/crystals · Powder

Low-temperature diffraction at 100(2) K; solved with SHELXT and refined with SHELXL-2018.

Temperature
100
Geometry
Single crystal 0.114 x 0.112 x 0.097 mm3
Context
pristine
Measurement source
SI p.S11 · Single crystal X-ray diffraction · Table S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Y6HOTP2 cubic lattice parameter a34.785(3) Angstrom(3)SI Table
Exact Reported
SI p.S11 · Single crystal X-ray diffraction · Table S2
Permanent solvent-accessible pore diameterapproximately 13.3 AngstromCaption
Approximate
main p.6921 · Figure 1 caption · Fig. 1
Y6HOTP2 space groupFd-3mSI Table
Exact Reported
SI p.S11 · Single crystal X-ray diffraction · Table S2