Typical interatomic distances: inorganic compounds

Abstract

Databases allow all experimental results of crystal structure determinations to be summarized and subjected to statistical analysis. For the Inorganic Crystal Structure Database (ICSD) [Bergerhoff, Hundt, Sievers & Brown (1983). J. Chem. Inf. Comput. Sci. 23, 66–69; FIZ-Karlsruhe (2004). http://www.fiz-karlsruhe.de] the analysis of interatomic distances has been performed starting with data from 24 496 structure determinations in the 1990 version of the ICSD. [An analysis with data of a later version is in progress: Brandenburg (2004). http://www.crystalimpact.com/diamond.] For distances between cations and anions (306 pairs of metals and halogens, 128 pairs of metals and oxygen, 70 pairs of metals and sulfur, 16 pairs of nonmetals and nonmetals) values are given describing the distribution of frequencies, calculated from carefully selected data. This chapter is also available as HTML from the International Tables Online site hosted by the IUCr.