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

648 44 11354 3 32920 document 11354 GSAS refinement files.zip application/zip 4e4a6493a7c24360fd2ab7d161e93ee1 MD5 3269620 2019-05-17 09:57:36 https://researchdata.bath.ac.uk/648/1/GSAS%20refinement%20files.zip 648 1 1 application/zip other GSAS refinement files for K-LTL and partially exchanged Li-LTL and Cs-LTL en public cc_by

GSAS refinement files.zip

data 11355 3 32922 document 11355 XRD_Patterns.zip application/zip 4f9eef24b643fe84b0ed160bf60e4421 MD5 117902 2019-05-17 09:58:04 https://researchdata.bath.ac.uk/648/2/XRD_Patterns.zip 648 2 2 application/zip other PXRD diffraction raw data files en public cc_by

XRD_Patterns.zip

data 11356 3 32924 document 11356 CIF files- final refined structures all zeolites.zip application/zip 3a3a894604c3d8311106d99a0253e284 MD5 74982 2019-05-17 09:58:14 https://researchdata.bath.ac.uk/648/3/CIF%20files-%20final%20refined%20structures%20all%20zeolites.zip 648 3 3 application/zip other Crystal structures of K-LTL and partially exchanged Li-LTL and Cs-LTL en public cc_by

CIF files- final refined structures all zeolites.zip

data 16147 2 53815 document 16147 README.txt text/plain 52c1bf64ec34b31cfa42c1cc42602846 MD5 1586 2022-06-24 09:57:43 https://researchdata.bath.ac.uk/648/4/README.txt 648 4 4 text/plain other en public cc_by

README.txt

documentation 16148 1 53817 document 16148 indexcodes.txt text/plain ead15ffe113315dc0c7507d06aed2829 MD5 809 2022-06-24 09:58:08 https://researchdata.bath.ac.uk/648/5/indexcodes.txt 648 5 5 text/plain other Generate index codes conversion from other to indexcodes en public

indexcodes.txt

http://eprints.org/relation/isVersionOf https://researchdata.bath.ac.uk/id/document/16147 http://eprints.org/relation/isVolatileVersionOf https://researchdata.bath.ac.uk/id/document/16147 http://eprints.org/relation/isIndexCodesVersionOf https://researchdata.bath.ac.uk/id/document/16147 archive 9576 disk0/00/00/06/48 2022-07-15 15:34:34 2024-07-02 13:52:23 2022-07-15 15:34:34 data_collection show Price Lisa L.A.Price@bath.ac.uk University of Bath FALSE Sartbaeva Asel A.Sartbaeva@bath.ac.uk 0000-0003-1017-0161 University of Bath TRUE Jones Zöe zlj20@bath.ac.uk University of Bath FALSE Nearchou Antony A.Nearchou@bath.ac.uk University of Bath FALSE Stenning Gavin gavin.stenning@stfc.ac.uk Rutherford Appleton Laboratory FALSE Nye Daniel daniel.nye@stfc.ac.uk Rutherford Appleton Laboratory FALSE Dataset for "The Effect of Cation Exchange on the Pore Geometry of Zeolite L" CG0020 GE0030 GE0040 dept_chem Zeolites, ion-exchange, Rietveld refinement, High-resolution PXRD 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. 2022-07-15 University of Bath public 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. RightsHolder University of Bath Royal Society https://doi.org/10.13039/501100000288 RGF\EA\180289 Enhancement Grant from the Royal Society entitled "Pores for thought: rational design and synthesis of zeolites" Royal Society https://doi.org/10.13039/501100000288 UF140623 Royal Society University Research Fellowship (Asel Sartbaeva) – Renewal cent_sus_tech 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. 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/). 2017-10 2018-05 en 1 10.15125/BATH-00648 https://doi.org/10.3390/appliedchem2030011 pub CCAF-XRD cfe18502-2100-4740-91ff-643144823d51 open