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Acta Crystallogr B ; 56(Pt 4): 565-9, 2000 Aug.
Article in English | MEDLINE | ID: mdl-10944245

ABSTRACT

Bond-valence parameters r0 and b, relating bond valence and bond length, are calculated for interactions between the ammonium ion and anions X = O, F, Cl. Searches in the Cambridge Structural Database (CSD) and in the Inorganic Crystal Structural Database (ICSD) were performed to obtain the lengths of NH4+...X contacts for ammonium ion environments in different structures. The procedure, which represents an extension of previous methods, allows certain environments to be rejected and enables the calculation of r0 and b from a reasonable range of interaction distances. Results are in very good agreement with the expected values on the basis of the assumed bond-valence model and their overall applicability to ammonium ion interactions is discussed.


Subject(s)
Models, Chemical , Quaternary Ammonium Compounds/chemistry , Anions/chemistry , Databases as Topic , Molecular Structure
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