Journal article
Determination of the Bonding and Valence Distribution in Inorganic Solids by the Maximum Entropy Method
Abstract
The distribution of valence among the bonds in the bond graph of an inorganic compound is used to calculate an `entropy'. We show that the distribution of valence that maximizes this entropy (ME) is similar, but not identical, to that obtained using the equal-valence rule (EVR) proposed by Brown [Acta Cryst. (1977), B33, 1305–1310]. Since the ME solutions are maximally non-committal with regard to missing information, they give better …
Authors
Rao GH; Brown ID
Journal
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 54, No. 3, pp. 221–230
Publisher
International Union of Crystallography (IUCr)
Publication Date
June 1, 1998
DOI
10.1107/s0108768197013426
ISSN
2052-5192