Chapter 9.4 Typical interatomic distances: inorganic compounds
Mathematical, physical and chemical tables
First Online Edition (2006)
Part 9. Basic structural features
Published Online: 1 JAN 2006
© International Union of Crystallography 2006
International Tables for Crystallography
How to Cite
Bergerhoff, G. and Brandenburg, K. 2006. Typical interatomic distances: inorganic compounds. International Tables for Crystallography. C:9:9.4:778–789.
- Published Online: 1 JAN 2006
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.
- basic structural features;
- inorganic compounds;
- interatomic distances