Abstract
The structure of a commercially available, dehydrated sample of Linde Molecular Sieve 5A was refined using neutron powder profile analysis. Refinements were attempted in the accepted space group Fm 3c , in pseudo-cell Pm 3m , and also, using a lower-symmetry model, in space group F432. In Fm 3c , ( a = 24.6497(8) Å) the final R pw obtained was 13.6% while in Pm 3m ( a = 12.3254(4) Å) the final R pw was 14.25%. The reasons for the relatively high values of R pw compared with previous studies are discussed in terms of cation disorder and distortion of the framework. All the Ca 2+ ions are located in a 6-ring site just inside the β cage while all the Na + ions are located in a 6-ring site just inside the α cage. No cations were found in the 8-ring site.
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