Acta Crystallographica Section A

Foundations of Crystallography

Volume 69, Part 6 (November 2013)

research papers

Acta Cryst. (2013). A69, 535-542    [ doi:10.1107/S0108767313020655 ]

Nets with collisions (unstable nets) and crystal chemistry

O. Delgado-Friedrichs, S. T. Hyde, S.-W. Mun, M. O'Keeffe and D. M. Proserpio

Abstract: Nets in which different vertices have identical barycentric coordinates (i.e. have collisions) are called unstable. Some such nets have automorphisms that do not correspond to crystallographic symmetries and are called non-crystallographic. Examples are given of nets taken from real crystal structures which have embeddings with crystallographic symmetry in which colliding nodes either are, or are not, topological neighbors (linked) and in which some links coincide. An example is also given of a crystallographic net of exceptional girth (16), which has collisions in barycentric coordinates but which also has embeddings without collisions with the same symmetry. In this last case the collisions are termed unforced.

Keywords: crystal nets; unstable nets.

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