International
Tables for
Crystallography
Volume D
Physical properties of crystals
Edited by A. Authier

International Tables for Crystallography (2013). Vol. D. ch. 1.11, pp. 270-271

Section 1.11.2.2.1. Glide-plane forbidden reflections

V. E. Dmitrienko,a* A. Kirfelb and E. N. Ovchinnikovac

a A. V. Shubnikov Institute of Crystallography, Leninsky pr. 59, Moscow 119333, Russia,bSteinmann Institut der Universität Bonn, Poppelsdorfer Schloss, Bonn, D-53115, Germany, and cFaculty of Physics, M. V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia
Correspondence e-mail:  [email protected]

1.11.2.2.1. Glide-plane forbidden reflections

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Considering first the glide-plane forbidden reflections, there may, for instance, exist a glide plane Mathematical symbol perpendicular to the Mathematical symbol axis, i.e. any point Mathematical symbol is transformed by this plane into Mathematical symbol. The corresponding matrix of this symmetry operation changes the sign of Mathematical symbol,Mathematical equationand the translation vector into Mathematical symbol. Substituting (1.11.2.4)link to equation into (1.11.2.1)link to equation and exchanging the integration variables in (1.11.2.3)link to equation, one obtains for the structure factors of reflections Mathematical symbolMathematical equationIf Mathematical symbol is scalar, i.e. Mathematical symbol, then Mathematical symbol Mathematical symbol for odd Mathematical symbol, hence Mathematical symbol vanishes. This is the well known conventional extinction rule for a Mathematical symbol glide plane, see International Tables for Crystallography Volume A (Hahn, 2005link to reference). If, however, Mathematical symbol is a tensor, the mirror reflection Mathematical symbol changes the signs of the Mathematical symbol and Mathematical symbol tensor components [as is also obvious from equation (1.11.2.5)link to equation]. As a result, the Mathematical symbol and Mathematical symbol components should not vanish for Mathematical symbol and the tensor structure factor becomesMathematical equationIn general, the elements Mathematical symbol and Mathematical symbol are complex, and it should be emphasized from the symmetry point of view that they are different and arbitrary for different Mathematical symbol and Mathematical symbol. However, from the physical point of view, they can be readily expressed in terms of tensor atomic factors, where only those chemical elements are relevant whose absorption-edge energies are close to the incident radiation energy (see below).

It is also easy to see that for the non-forbidden (= allowed) reflections Mathematical symbol, the non-zero tensor elements are just those which vanish for the forbidden reflections:Mathematical equationHere the result is mainly provided by the diagonal elements Mathematical symbol, but there is still an anisotropic part that contributes to the structure factor, as expressed by the off-diagonal element. In principle, the effect on the total intensity as well as the element itself can be assessed by careful measurements using polarized radiation.

References

First citation Hahn, Th. (2005). Editor. International Tables for Crystallography, Volume A, Space-Group Symmetry, 5th ed. Heidelberg: Springer.Google Scholar








































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