ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
The location of extra framework cations, water moecules of hydration and hydrogen bonding in the zeolite Chabazite.
Abstract: The microporous zeolite chabazite (Ca2[Al4Si8O24) 13H2O is finding increasing use in a wide variety of roles such as gas separation, sequestration of radioactive isotopes produced by nuclear fission, and removal ammonium ions from animal sewage. Natural chabazite consists of vertex sharing TO4 tetrahedra (T=Si/Al). The presence of aluminium atoms requires that extra charge balancing cations are present to ensure electroneutrality, and these additional ions are usually hydrated. The tetrahedral TO4 units are linked together to produce a structure consisting of double hexagonal rings which are linked to form a cage structure bounded by 8 and 4 membered windows. It is the occurrence of these window-linked cages that enables chabazite to function in the roles outlined above. Natural has mainly calcium as the charge balancing cation, but can also accommodate group 1 cations in the structure. It crystallises in the space group R-3m a = 9.428 = 94.14 . We will determine the location of the extra framework cations both in a naturally occurring sample and in ion exchanged samples with (M = Li+, K+,Cs+ NH4+), together with their associated water molecules of hydration, using the SXD diffractometer. The determination of the location and occupancies extra-framework cations and water molecules will provide important information, as to the operation of these materials.
Principal Investigator: Dr Richard Jones
Local Contact: Dr Silvia Capelli
DOI: 10.5286/ISIS.E.RB2610463
ISIS Experiment Number: RB2610463
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2610463-1 | SXD | 11 June 2029 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
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[author], [date], [title], [publisher],
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Dr Richard Jones et al; (2026): The location of extra framework cations, water moecules of hydration and hydrogen bonding in the zeolite Chabazite. , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610463
Data is released under the CC-BY-4.0 license.
