{"title":"On the structural integrity of the spinel block in the β\"-alumina structure.","authors":"Dunbar P Birnie","doi":"10.1107/S0108768112002649","DOIUrl":null,"url":null,"abstract":"<p><p>The β''-alumina structure is examined in detail and an analysis is presented of the three-dimensional integrity of the lattice. The layer structure that is responsible for the very high sodium conduction rate is the specific focus. Rigid layers that are derived from the cubic spinel structure are interleaved by more open honeycomb pathways where rapid ion diffusion takes place. The three-dimensional rigidity of the spinel block in this structure makes it possible to accurately quantify the conduction layer thickness based only on the hexagonal unit-cell dimensions, as suggested originally by Harbach [(1983), J. Mater. Sci. 18, 2437-2452]. His calculation is tested rigorously against the many single-crystal structure determinations that have been made on the β''-alumina family compounds and excellent correlation is found.</p>","PeriodicalId":7107,"journal":{"name":"Acta Crystallographica Section B-structural Science","volume":"68 Pt 2","pages":"118-22"},"PeriodicalIF":1.9000,"publicationDate":"2012-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108768112002649","citationCount":"19","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section B-structural Science","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S0108768112002649","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2012/2/25 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 19
Abstract
The β''-alumina structure is examined in detail and an analysis is presented of the three-dimensional integrity of the lattice. The layer structure that is responsible for the very high sodium conduction rate is the specific focus. Rigid layers that are derived from the cubic spinel structure are interleaved by more open honeycomb pathways where rapid ion diffusion takes place. The three-dimensional rigidity of the spinel block in this structure makes it possible to accurately quantify the conduction layer thickness based only on the hexagonal unit-cell dimensions, as suggested originally by Harbach [(1983), J. Mater. Sci. 18, 2437-2452]. His calculation is tested rigorously against the many single-crystal structure determinations that have been made on the β''-alumina family compounds and excellent correlation is found.
期刊介绍：
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.
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