Dataset for "The Effect of Cation Exchange on the Pore Geometry of Zeolite L"

This dataset provides a characterisation of LTL-type zeolites that provides insight into the locations of extra-framework cations and water molecules; this is fundamental in understanding and exploiting the characteristics of these materials. This work is a step towards tuning LTL-zeolites for better use as functional materials.

A collection of data used for the article "The Effect of Cation Exchange on the Pore Geometry of Zeolite L". In that work, we explore the effect of cation exchange on the pore dimensions, cation locations and water distribution within the 12R channel systems of LTL-type zeolites. Non-framework K+ cations are exchanged with larger Cs+ and smaller Li+ ions to physically alter pore openings and cavity volumes. Advanced structural characterisation provides insight into the locations of these extra-framework cations and water molecules.

Included in the dataset are GSAS (Generalized Structure Analysis System) refinement files for the zeolites; raw Rigaku SmartLab ASCII output files and Origin Project files from powder X-ray diffractometry; and crystal structures as CIF files.

Keywords:
Zeolites, ion-exchange, Rietveld refinement, High-resolution PXRD
Subjects:

Cite this dataset as:
Price, L., Sartbaeva, A., Jones, Z., Nearchou, A., Stenning, G., Nye, D., 2022. Dataset for "The Effect of Cation Exchange on the Pore Geometry of Zeolite L". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00648.

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Data

GSAS refinement files.zip
application/zip (3MB)
Creative Commons: Attribution 4.0

GSAS refinement files for K-LTL and partially exchanged Li-LTL and Cs-LTL

XRD_Patterns.zip
application/zip (117kB)
Creative Commons: Attribution 4.0

PXRD diffraction raw data files

CIF files- … all zeolites.zip
application/zip (74kB)
Creative Commons: Attribution 4.0

Crystal structures of K-LTL and partially exchanged Li-LTL and Cs-LTL

Creators

Lisa Price
University of Bath

Asel Sartbaeva
University of Bath

Zöe Jones
University of Bath

Antony Nearchou
University of Bath

Gavin Stenning
Rutherford Appleton Laboratory

Daniel Nye
Rutherford Appleton Laboratory

Contributors

University of Bath
Rights Holder

Coverage

Collection date(s):

From October 2017 to May 2018

Documentation

Data collection method:

K-L and partially exchanged Li-L and Cs-L zeolites were characterised at ambient conditions by performing high resolution x-ray diffraction measurements. To optimise the resolution, overnight scans (scan speed 0.1°/min with step size 0.02° across a 2θ range 87 from 1–40°) were performed on a Rigaku SmartLab diffractometer with a high flux rotating copper anode x-ray source (monochromator, λ=1.544414 Å) at the materials characterisation lab, ISIS Neutron and Muon Source. Structural characterisation was performed by Rietveld refinements using the GSAS suite of programs.

Technical details and requirements:

GSAS files may be opened with GSAS-II software (https://subversion.xray.aps.anl.gov/trac/pyGSAS). ASC files are the plain-text output from the Rigaku SmartLab diffractometer. OPJ files can be opened with Origin data analysis software (https://www.originlab.com/).

Documentation Files

README.txt
text/plain (1kB)
Creative Commons: Attribution 4.0

Funders

Enhancement Grant from the Royal Society entitled "Pores for thought: rational design and synthesis of zeolites"
RGF\EA\180289

Renewal of RS Fellowship
UF140623

Publication details

Publication date: 15 July 2022
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-00648

URL for this record: https://researchdata.bath.ac.uk/id/eprint/648

Related papers and books

Price, L. A., Jones, Z., Nearchou, A., Stenning, G., Nye, D., and Sartbaeva, A., 2022. The Effect of Cation Exchange on the Pore Geometry of Zeolite L. AppliedChem, 2(3), 149-159. Available from: https://doi.org/10.3390/appliedchem2030011.

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Asel Sartbaeva

Departments:

Faculty of Science
Chemistry

Research Centres & Institutes
Centre for Sustainable and Circular Technologies (CSCT)