{"title":"Exact solution of the bond-valence sum rule for a set of coordination shells.","authors":"Vasyl Sidey","doi":"10.1107/S0108768112020289","DOIUrl":null,"url":null,"abstract":"<p><p>The calculation scheme for determining the bond-valence parameters (r(0) and b) resulting in the exact solution of the bond-valence sum rule for a given set of coordination shells is presented.</p>","PeriodicalId":7107,"journal":{"name":"Acta Crystallographica Section B-structural Science","volume":"68 Pt 3","pages":"318-20"},"PeriodicalIF":1.9000,"publicationDate":"2012-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108768112020289","citationCount":"2","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section B-structural Science","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S0108768112020289","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2012/5/17 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2
Abstract
The calculation scheme for determining the bond-valence parameters (r(0) and b) resulting in the exact solution of the bond-valence sum rule for a given set of coordination shells is presented.
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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