Chapter

Chapter 9.4 Typical interatomic distances: inorganic compounds

Mathematical, physical and chemical tables

First Online Edition (2006)

Part 9. Basic structural features

  1. G. Bergerhoff,
  2. K. Brandenburg

Published Online: 1 JAN 2006

DOI: 10.1107/97809553602060000620

International Tables for Crystallography

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.

Author Information

  1. Institut für Anorganische Chemie der Universität Bonn, Gerhard‐Domagkstrasse 1, D‐53121 Bonn, Germany

Publication History

  1. Published Online: 1 JAN 2006

SEARCH

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.

Keywords:

  • basic structural features;
  • inorganic compounds;
  • interatomic distances