Zeitschrift für Physik D Atoms, Molecules and Clusters

, Volume 26, Supplement 1, pp 15–17

Exact analytical formulae for mean coordination numbers in clusters

Authors

  • Hans-Gerhard Fritsche
    • Fakultät für ChemieFriedrich-Schiller Universität
  • Robert E. Benfield
    • Chemical LaboratoryUniversity of Kent at Canterbury
Article

DOI: 10.1007/BF01425603

Cite this article as:
Fritsche, H. & Benfield, R.E. Z Phys D - Atoms, Molecules and Clusters (1993) 26: 15. doi:10.1007/BF01425603

Abstract

Rigorous analytical formulae for mean nearest-neighbour coordination numbers in clusters as a function of cluster size have been derived for a range of geometries: the tetrahedron, octahedron, cuboctahedron, icosahedron and bcc rhombic dodecahedron. Formulae for outer-neighbour coordination numbers are also reported, including a complete analysis of interatomic distances and mean coordination numbers in icosahedra. The formulae will find application in studies of electronic structure and interpretation of EXAFS data.

PACS

68.35.Bs 36.40.+d 35.20.Bm

Copyright information

© Springer-Verlag 1993