International
Tables for
Crystallography
Volume C
Mathematical, physical and chemical tables
Edited by E. Prince

International Tables for Crystallography (2006). Vol. C. ch. 9.2, pp. 763-764

Section 9.2.2.2.6. The vicinity condition

S. Ďuroviča

9.2.2.2.6. The vicinity condition

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A polytype family contains periodic as well as non-periodic members. The latter are as important as the former, since the very fact that they can be non-periodic carries important crystallochemical information. Non-periodic polytypes do not comply with the classical definition of crystals, but we believe that this definition should be generalized to include rather than exclude non-periodic polytypes from the world of crystals (Dornberger-Schiff & Grell, 1982b[link]). The OD theory places them, together with the periodic ones, in the hierarchy of the so-called VC structures. The reason for this is that all periodic structures, even the non-polytypic ones, can be thought of as consisting of disjunct, two-dimensionally periodic slabs, the VC layers, which are stacked together according to three rules called the vicinity condition (VC) (Dornberger-Schiff, 1964[link], pp. 29 ff., Dornberger-Schiff, 1979[link]; Dornberger-Schiff & Fichtner, 1972[link]):

  • (α) VC layers are either geometrically equivalent or, if not, they are relatively few in kind;

  • (β) translation groups of all VC layers are either identical or they have a common subgroup;

  • (γ) equivalent sides of equivalent layers are faced by equivalent sides of adjacent layers so that the resulting pairs are equivalent [for a more detailed specification and explanation see Dornberger-Schiff (1979[link])].

If the stacking of VC layers is unambiguous, traditional three-dimensionally periodic structures result (fully ordered structures). OD structures are VC structures in which the stacking of VC layers is ambiguous at every layer boundary (Z > 1). The corresponding VC layers then become OD layers. OD layers are, in general, not identical with crystallochemical layers; they may contain half-atoms at their boundaries. In this context, they are analogous with unit cells in traditional crystallography, which may also contain parts of atoms at their boundaries. However, the choice of OD layers is not absolute: it depends on the polytypism, either actually observed or reasonably anticipated, on the degree of symmetry idealization, and other circumstances (Grell, 1984[link]).

References

First citation Dornberger-Schiff, K. (1964). Grundzüge einer Theorie von OD-Strukturen aus Schichten. Abh. Dtsch. Akad. Wiss. Berlin. Kl. Chem. 3.Google Scholar
First citation Dornberger-Schiff, K. (1979). OD structures – a game and a bit more. Krist. Tech. 14, 1027–1045.Google Scholar
First citation Dornberger-Schiff, K. & Fichtner, K. (1972). On the symmetry of OD structures consisting of equivalent layers. Krist. Tech. 7, 1035–1056.Google Scholar
First citation Dornberger-Schiff, K. & Grell, H. (1982b). On the notions: crystal, OD crystal and MDO crystal. Kristallografiya, 27, 126–133. [In Russian.]Google Scholar
First citation Grell, H. (1984). How to choose OD layers. Acta Cryst. A40, 95–99.Google Scholar








































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