Structural changes of synthetic paulingite (Na,H-ECR-18) upon dehydration and CO2 adsorption

Alex G. Greenaway, Jiho Shin, Paul A. Cox, Elenica Shiko, Stephen P. Thompson, Stefano Brandani, Suk Bong Hong, Paul A. Wright*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The 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 Im (3) over barm to I (4) over bar 3m, with a corresponding decrease of cubic unit cell a parameter from 34.89412(1) angstrom to 33.3488(3) angstrom. 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 N-2 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.

Original languageEnglish
Pages (from-to)223-231
Number of pages9
JournalZeitschrift für Kristallographie - Crystalline Materials
Volume230
Issue number4
DOIs
Publication statusPublished - Apr 2015

Keywords

  • carbon dioxide adsorption
  • cation locations
  • dehydrated structure
  • synthetic paulingite
  • trapdoor zeolite
  • UNIVALENT CATION FORMS
  • ZEOLITE RHO
  • WATER-MOLECULES
  • SEPARATION
  • FRAMEWORK
  • FLEXIBILITY
  • CAPTURE
  • ANALOG
  • GASES

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