The structure of dehydrated zeolite 5A ( [formula omitted]) by neutron profile refinement

• Published in: Journal of solid state chemistry Vol. 51; no. 1; pp. 83 - 90
• Main Authors: Adams, J.M., Haselden, D.A.
• Format: Journal Article
• Language: English
• Published: San Diego, CA Elsevier Inc 1984; Elsevier
• Subjects: Condensed matter: structure, mechanical and thermal properties; Exact sciences and technology; Inorganic compounds; Physics; Salts; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Zeolite; Experimental study; Neutron diffraction; Inorganic compound; Crystalline structure
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/0022-4596(84)90318-9

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.