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dc.contributor.authorGreenaway, A.G.
dc.contributor.authorShin, J.
dc.contributor.authorCox, P.A.
dc.contributor.authorShiko, E.
dc.contributor.authorThompson, S.P.
dc.contributor.authorBrandani, S.
dc.contributor.authorHong, S.B.
dc.contributor.authorWright, P.A.
dc.identifier.citationGreenaway , A G , Shin , J , Cox , P A , Shiko , E , Thompson , S P , Brandani , S , Hong , S B & Wright , P A 2015 , ' Structural changes of synthetic paulingite (Na,H-ECR-18) upon dehydration and CO 2 adsorption ' , Zeitschrift fur Kristallographie , vol. 230 , no. 4 , pp. 223-231 .
dc.identifier.otherPURE: 189023801
dc.identifier.otherPURE UUID: d2e3935f-b2a0-4527-b29e-38e24a172d3b
dc.identifier.otherScopus: 84929012719
dc.identifier.otherWOS: 000353161400004
dc.identifier.otherORCID: /0000-0002-4243-9957/work/62668290
dc.descriptionFunding: EPSRCen
dc.description.abstractThe structure of dehydrated calcined ECR-18, synthetic paulingite, topology type PAU, unit cell composition Na132H28Si512Al160O1344, has been determined by Rietveld refinement against synchrotron X-ray powder diffraction data. Upon dehydration the symmetry of Na,H-ECR-18 changes from Im3m to I 43m, with a corresponding decrease of cubic unit cell a parameter from 34.89412(1) A to 33.3488(3) A. This occurs as the framework distorts to afford closer coordination of Na+ cations by framework O atoms in 8-ring window sites of the seven cage types present. Na+ cations in 8R sites block the access of N2 molecules to the internal pore space at 77 K but CO2 adsorption at 308 K is observed, and is postulated to occur via a 'trapdoor' mechanism. In situ PXRD during CO2 adsorption at pressures up to 10 bar show reversible broadening of diffraction peaks that is attributed to local crystallographic strain.
dc.relation.ispartofZeitschrift fur Kristallographieen
dc.rights(c) 2014, Paul A. Wright et al., published by De Gruyter. This article is distributed under the terms of the Creative Commons Attribution 3.0 Public License. (CC BY 3.0)en
dc.subjectCarbon dioxide adsoptionen
dc.subjectCation locationsen
dc.subjectDehydrated structureen
dc.subjectSynthetic paulingiteen
dc.subjectTrapdoor zeoliteen
dc.subjectQD Chemistryen
dc.titleStructural changes of synthetic paulingite (Na,H-ECR-18) upon dehydration and CO2 adsorptionen
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.description.statusPeer revieweden

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