Acta Crystallographica Section A

Foundations of Crystallography

Volume 63, Part 3 (May 2007)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The molecular form of the guanosine-5'-phosphate tetramer [Zimmerman (1976). J. Mol. Biol. 106, 663-672] has vertices at points of a cubic lattice with parameter a defined by the distance of O6 from the centre. The height is H = 2a and the basis a square scaled by a factor 6 from the central hole. Another square, scaled by 3[square root]2 and turned by 45°, separates phosphates and bases. The indices of the molecular forms are indicated. Courtesy of A. Janner.

research papers


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Acta Cryst. (2007). A63, 229-233  [ doi:10.1107/S0108767307000748 ]

Characterization of pyramidal inversion boundaries in Sb2O3-doped ZnO by using electron back-scattered diffraction (EBSD)

W. Jo, C. Park and D.-Y. Kim

Synopsis: Identification of the composition planes of the inversion boundary in ZnO ceramics by the use of the standard stereographic projection technique and the electron back-scattered diffraction.

Online 13 April 2007


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Acta Cryst. (2007). A63, 234-238  [ doi:10.1107/S0108767307001663 ]

Determination of a one-electron reduced density matrix using a coupled pseudo-atom model and a set of complementary scattering data

J.-M. Gillet

Synopsis: A possible model of one-electron reduced density matrices is presented. Potential benefits from a joint refinement of the model from X-ray diffraction and deep inelastic scattering data are illustrated.

Online 13 April 2007


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Acta Cryst. (2007). A63, 239-250  [ doi:10.1107/S0108767307002930 ]

Phase and amplitude recovery and diffraction image generation method: structure of Sb/Au(110)-[square root]3 × [square root]3R54.7° from surface X-ray diffraction

R. Fung, V. L. Shneerson, P. F. Lyman, S. S. Parihar, H. T. Johnson-Steigelman and D. K. Saldin

Synopsis: A scheme is proposed, the phase and amplitude recovery and diffraction image generation method (PARADIGM), for the direct determination of the three-dimensional electron density of a surface unit cell from surface X-ray diffraction (SXRD) data. The method is illustrated by solving the previously unknown (multidomain) surface structure of Sb/Au(110)-[square root]3 × [square root]3R54.7°.

Online 13 April 2007


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Acta Cryst. (2007). A63, 251-256  [ doi:10.1107/S0108767307011452 ]

Kinematical multiple diffraction: the width of [psi]-scan intensity profiles

E. Rossmanith

Synopsis: The peak width of multiple diffraction events is derived by means of purely geometrical considerations in reciprocal space from the divergence and wavelength spread of the incident beam and the mosaic spread and magnitude of the perfect crystallites in the sample.

Online 13 April 2007


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Acta Cryst. (2007). A63, 257-265  [ doi:10.1107/S0108767307002802 ]

The mean-square Friedel intensity difference in P1 with a centrosymmetric substructure

H. D. Flack and U. Shmueli

Synopsis: A rigorous derivation of the mean-square Friedel intensity difference for pseudo-centrosymmetric structures leads to formulae useful in absolute-structure determination and structure solution by resonant-scattering techniques.

Online 13 April 2007


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Acta Cryst. (2007). A63, 266-272  [ doi:10.1107/S0108767307011087 ]

A simple method of determining the form of the phonon part of tensors describing quasicrystal properties

H. Grimmer

Synopsis: The restrictions on the form of property tensors of rank [less-than or equal to]4 that follow from the Neumann principle for the point groups describing quasicrystals are deduced from those for the point groups describing ordinary crystals.

Online 13 April 2007


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Acta Cryst. (2007). A63, 273-277  [ doi:10.1107/S0108767307011336 ]

Size-dependent interbranch peculiarities of X-ray extinction in strongly bent crystals

M. Shevchenko

Synopsis: X-ray diffraction from homogeneously bent crystals is studied within the interbranch resonance concept for large gradient. It is predicted that prominent extinction effects occur due to the interbranch phase changes of the wavefields.

Online 13 April 2007


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Acta Cryst. (2007). A63, 278-286  [ doi:10.1107/S0108767307012135 ]

Overlooked problems in manifold twins: twin misfit in zero-obliquity TLQS twinning and twin index calculation

M. Nespolo and G. Ferraris

Synopsis: The calculation of the twin index and the evaluation of the lattice pseudo-symmetry in manifold twins are revised. Some inconsistencies in the literature are addressed.

Online 13 April 2007


addenda and errata


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Acta Cryst. (2007). A63, 287  [ doi:10.1107/S0108767307016248 ]

Diffraction with a coherent X-ray beam: dynamics and imaging. Erratum

F. Livet

Synopsis: Erratum to Livet [Acta Cryst. (2007), A63, 63-87].

Online 13 April 2007


books received


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Acta Cryst. (2007). A63, 288  [ doi:10.1107/S0108767306047349 ]

Structure determination from powder diffraction data. International Union of Crystallography Monographs in Crystallography. No. 13

Online 13 April 2007


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Acta Cryst. (2007). A63, 288  [ doi:10.1107/S010876730701149X ]

Structure and chemistry of crystalline solids

Online 13 April 2007


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Acta Cryst. (2007). A63, 288  [ doi:10.1107/S0108767307011506 ]

Handbook of X-ray data

Online 13 April 2007


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