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A proposed rigorous definition of coordination number

1979; International Union of Crystallography; Volume: 35; Issue: 5 Linguagem: Inglês

10.1107/s0567739479001765

1600-8596

M. O’Keeffe,

Thermal and Kinetic Analysis

It is proposed that a weighted coordination number, Z*, be used as a measure of the number of neighbours of an atom in a crystal. Coordinating atoms contribute faces to the Voronoi polyhedron around a central atom and their contributions are weighted in proportion to the solid angle subtended by that face at the centre. The advantages of this definition over other proposals are pointed out.