EXACT ANALYTICAL FORMULAS FOR MEAN COORDINATION NUMBERS IN CLUSTERS

Authors
FRITSCHE HG BENFIELD RE
Citation
Hg. Fritsche et Re. Benfield, EXACT ANALYTICAL FORMULAS FOR MEAN COORDINATION NUMBERS IN CLUSTERS, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 26, 1993, pp. 15-17
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Zeitschrift fur Physik. D, Atoms, molecules and clusters → ACNP
ISSN journal
01787683
Volume
26
Year of publication
1993
Supplement
S
Pages
15 - 17
Database
ISI
SICI code
0178-7683(1993)26:<15:EAFFMC>2.0.ZU;2-6
Abstract
Rigorous analytical formulae for mean nearest-neighbour coordination n umbers in clusters as a function of cluster size have been derived for a range of geometries: the tetrahedron, octahedron, cuboctahedron, ic osahedron and bcc rhombic dodecahedron. Formulae for outer-neighbour c oordination numbers are also reported, including a complete analysis o f interatomic distances and mean coordination numbers in icosahedra. T he formulae will find application in studies of electronic structure a nd interpretation of EXAFS data.