Diffraction Structure — Functionality in metal-organic framework minerals: Proton conductivity, stability and potential for polymorphism

Measurement evidence

Diffraction Structure

Functionality in metal-organic framework minerals: Proton conductivity, stability and potential for polymorphism · Huskic I., Novendra N., Lim D.-W. et al. · Chemical Science · 2019 · 4923-4929

2 measurement groups · 9 results

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

Single-crystal X-ray diffraction

ST2 crystals · Single Crystal

ST2, ST1d and ST2d structures determined with a Bruker D8 APEX2 diffractometer and MoKa radiation; ST1/ST2 crystallographic parameters tabulated.

Temperature
100 and 298
Geometry
Single crystals
Context
pristine and dehydrated framework crystals
Measurement source
4924 · Crystal structures of ST2, ST1d and ST2d · Table 1; CIF
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
ST1 a lattice parameter at 100 K9.8670(9) A(9)Table
Exact Reported
4925 · Results and discussion · Table 1
ST1 c lattice parameter at 100 K36.735(3) A(3)Table
Exact Reported
4925 · Results and discussion · Table 1
ST1d a lattice parameter at 298 K9.7745(2) A(2)Table
Exact Reported
4925 · Results and discussion · Table 1
ST1d c lattice parameter at 298 K29.7940(11) A(11)Table
Exact Reported
4925 · Results and discussion · Table 1
ST2 a lattice parameter at 298 K17.0483(4) A(4)Table
Exact Reported
4925 · Results and discussion · Table 1
ST2 c lattice parameter at 298 K12.4218(4) A(4)Table
Exact Reported
4925 · Results and discussion · Table 1
ST2d a lattice parameter at 298 K9.756(3) A(3)Table
Exact Reported
4925 · Results and discussion · Table 1
ST2d c lattice parameter at 298 K10.117(3) A(3)Table
Exact Reported
4925 · Results and discussion · Table 1

Variable-temperature powder X-ray diffraction

ST1 crystals · Single Crystal

Powdered ST1 and ST2 heated 2 deg C per hour from 25 deg C to 110 deg C, then exposed to 100% RH at room temperature.

Atmosphere
dry heating followed by 100% RH
Geometry
Powder samples
Context
pristine framework powders undergoing dehydration/rehydration
Measurement source
4926 · Results and discussion · Fig. 2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Guest-water loss upon VT-PXRD heatingthree equivalents of guest water moleculesText
Exact Reported
4926 · Results and discussion · Fig. 2