Exact analytical formulae for mean coordination numbers in clusters

  • Hans-Gerhard Fritsche
  • Robert E. Benfield
Article

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 

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Copyright information

© Springer-Verlag 1993

Authors and Affiliations

  • Hans-Gerhard Fritsche
    • 1
  • Robert E. Benfield
    • 2
  1. 1.Fakultät für ChemieFriedrich-Schiller UniversitätJenaGermany
  2. 2.Chemical LaboratoryUniversity of Kent at CanterburyKentUK

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