International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shmueli

International Tables for Crystallography (2010). Vol. B, ch. 1.4, p. 117   | 1 | 2 |

Section 1.4.3.1. Some general remarks

U. Shmuelia

1.4.3.1. Some general remarks

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This section is a revised version of the structure-factor tables contained in Sections 4.5 through 4.7 of Volume I (IT I, 1952[link]). As in the previous edition, it is intended to present a comprehensive list of explicit expressions for the real and the imaginary parts of the trigonometric structure factor, for all the 17 plane groups and the 230 space groups, and for the hkl subsets for which the trigonometric structure factor assumes different functional forms. The tables given here are also confined to the case of general Wyckoff positions (IT I, 1952[link]). However, the expressions are presented in a much more concise symbolic form and are amenable to computation just like the explicit trigonometric expressions in Volume I (IT I, 1952[link]). The present tabulation is based on equations (1.4.2.19)[link] and (1.4.2.20),[link] i.e. the numerical coefficients in A and B which appear in Tables A1.4.3.1[link][link][link][link][link][link]–A1.4.3.7[link] in Appendix A1.4.3[link] are appropriate to space-group-specific structure-factor formulae. The functional form of A and B is, however, the same when applied to Fourier summations (see Section 1.4.2.3[link]).

References

International Tables for X-ray Crystallography (1952). Vol. I, Symmetry Groups, edited by N. F. M. Henry & K. Lonsdale. Birmingham: Kynoch Press.








































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