Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites"

Dataset

Description

This is a dataset for manuscript "Defining the flexibility window in ordered aluminosilicate zeolites". In this dataset there are three folders: PEARL_High-PressureDataOctober2012; PEARLDecember2011 and SimulationsFilesForAlBarPaper

1) PEARL_High-PressureDataOctober2012 contains:
PEARL instrument raw data for BrSOD in ethanol-methanol-water solvent, NaOH-SOD in fluorinate, NaOH-SOD in ethanol-methanol-water and plain NaOH in vanadium can.
GSAS data for for BrSOD in ethanol-methanol-water solvent, NaOH-SOD in fluorinate, NaOH-SOD in ethanol-methanol-water and plain NaOH in vanadium can.
Cell parameters were analysed in EXCEL and are in files labeled alldata.
Calibration files include: Lead.xls, PEARL_123.ipf.

2) PEARLDecember2011 contains:
All refinements done for the data in GSAS

3)SimulationsFilesForAlBarPaper contains:
files for running GASP program;
result files for the simulations and analysis;
high-pressure data files;
analysis of high-pressure files.
Date made available2017
PublisherUniversity of Bath
Date of data production2017

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