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3D ED raw data for "Why are zeolites harder to make than MOFs? A study of the sodalite system"

Authors: Rainer, Daniel N.; Coles, Simon J.; Wu, Haochen; James, Stuart L.;

3D ED raw data for "Why are zeolites harder to make than MOFs? A study of the sodalite system"

Abstract

3D ED data for the crystal structure in the title publication (https://doi.org/10.1039/D6MR00009F). Data were collected using continuous rotation in selected area mode. The table below summarizes generic data collection parameters for the data collection. The table below summarizes the data collection parameters: General Collection site University of Southampton, NCS/NEDF University of Southampton, NCS/NEDF Sample label(s) 2024NCS0186 2024NCS0187 Crystal structure deposit CSD 2432426 CSD 2432427 Instrumental Instrument Rigaku XtaLAB Synergy-ED, electron diffractometer Rigaku XtaLAB Synergy-ED, electron diffractometer Radiation source LaB6 filament LaB6 filament Accelerating voltage [kV] 200 200 Wavelength [Å] 0.0251 0.0251 Probe type Parallel beam (SAED) Parallel beam (SAED) Beam convergence Parallel beam Parallel beam Detector Rigaku HyPix-ED, hybrid pixel array detector Rigaku HyPix-ED, hybrid pixel array detector Number of pixels 775 x 385 775 x 385 Pixel size [µm] 100 100 Hardware binning 1 1 Experimental Data type electron diffraction data - 3D ED electron diffraction data - 3D ED Data collection method continuous rotation - cRED continuous rotation - cRED Temperature [K] 175(5) 175(5) Sample description Name TSOD (sodalite) VSOD (sodalite) Chemical composition Al Na O4 Si Al Na O4 Si Sample source synthesis synthesis Grid lacey carbon coated copper grid, 200 mesh (Agar Scientific, UK) lacey carbon coated copper grid, 200 mesh (Agar Scientific, UK) Sample preparation sample ground between glass slides, grid dabbed, cryo transfer @ 175 K sample ground between glass slides, grid dabbed, cryo transfer @ 175 K Sample holder GATAN Elsa cryo-transfer holder 698 GATAN Elsa cryo-transfer holder 698 Software Software for data collection CrysAlisPro 1.171.43.118a CrysAlisPro 1.171.43.118a Software for data processing CrysAlisPro 1.171.44.98a CrysAlisPro 1.171.44.47a Files and data formats Image folders ./frames/xxx.rodhypix./frames/xxx.tiff ./frames/xxx.rodhypix./frames/xxx.tiff Image format .rodhypix.tiff .rodhypix.tiff Additional files CrysAlisPro files: ./expinfo/./expinfo/exp_XXXX_datacoll.ini ./plots_dc.plots_dc/exp_XXX_hypix.dat.plots_dc/exp_XXX_Jeol_MicroED.dat.plots_dc/exp_XXX_primarybeam.dat ./CrysalisExpSettings.ini./exp_XXX.par./exp_XXX.run./new.ccd Grain snapshots files: ./exp_XXXX_microed_grain_snapshot.rodhypix CrysAlisPro files: ./expinfo/./expinfo/exp_XXXX_datacoll.ini ./plots_dc.plots_dc/exp_XXX_hypix.dat.plots_dc/exp_XXX_Jeol_MicroED.dat.plots_dc/exp_XXX_primarybeam.dat ./CrysalisExpSettings.ini./exp_XXX.par./exp_XXX.run./new.ccd Grain snapshots files: ./exp_XXXX_microed_grain_snapshot.rodhypix

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