[IUCr 2014 Congress]

Acta Crystallographica Section A

Foundations and Advances

Volume 70, Part 3 (May 2014)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The calculated distribution of X-ray intensities obtained from rocking a crystal plane about two orthogonal axes. The central peak represents the specular condition. The inset illustrates the capture area for a typical Bragg-Brentano diffractometer. Image from A new theory for X-ray diffraction by Paul F. Fewster [Acta Cryst. (2014), A70, 257-282].

mathematical crystallography

foundations


mathematical crystallography


research papers


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Acta Cryst. (2014). A70, 203-216  [ doi:10.1107/S2053273314000217 ]

Polyhedra, complexes, nets and symmetry

E. Schulte

Synopsis: The recently classified 3-periodic regular apeirohedra and polygonal complexes in space all have well known crystal nets as edge graphs. These nets are determined explicitly.

Online 12 March 2014


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Acta Cryst. (2014). A70, 217-228  [ doi:10.1107/S2053273314000631 ]

Non-crystallographic nets: characterization and first steps towards a classification

M. Moreira de Oliveira and J.-G. Eon

Synopsis: The central role of bounded automorphisms of finite order in non-crystallographic nets is featured; it is shown that stable nets are crystallographic nets.

Online 12 March 2014


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Acta Cryst. (2014). A70, 229-238  [ doi:10.1107/S2053273314004665 ]

Atomic clusters and atomic surfaces in icosahedral quasicrystals

M. Quiquandon, R. Portier and D. Gratias

Synopsis: The basic tools commonly used to describe the atomic structures of quasicrystals are presented, with a specific focus on the icosahedral phases.

Online 2 May 2014


foundations


research papers


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Acta Cryst. (2014). A70, 239-247  [ doi:10.1107/S2053273313034864 ]

Applications of direct methods in protein crystallography for dealing with diffraction data down to 5 Å resolution

H. Fan, Y. Gu, Y. He, Z. Lin, J. Wang, D. Yao and T. Zhang

Synopsis: Direct methods applying to protein diffraction data below atomic resolution are described. Typical examples for SAD phasing, model completion and phase extension are given in detail.

Online 12 March 2014


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Acta Cryst. (2014). A70, 248-256  [ doi:10.1107/S2053273314000898 ]

About systematic errors in charge-density studies

J. Henn and K. Meindl

Synopsis: An indicator of systematic errors based on theoretical R values is introduced and applied to charge-density data.

Online 13 March 2014


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Acta Cryst. (2014). A70, 257-282  [ doi:10.1107/S205327331400117X ]

A new theory for X-ray diffraction

P. F. Fewster

Synopsis: By considering the scattering distributed throughout space, there is an intensity enhancement at the Bragg angle even when the Bragg condition is not satisfied. This leads to an alternative explanation for the diffraction from powders and small crystals.

Online 27 March 2014


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Acta Cryst. (2014). A70, 283-290  [ doi:10.1107/S2053273314003994 ]

Unified approach for determining tetragonal tungsten bronze crystal structures

M. Smirnov and P. Saint-Grégoire

Synopsis: The whole set of rigid unit modes in tetragonal tetragonal bronze lattices is described. Structural distortions induced by condensation of the modes are discussed. Confrontation with available experimental data confirms the relevance of the rigid unit mode model.

Online 1 April 2014


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Acta Cryst. (2014). A70, 291-299  [ doi:10.1107/S2053273314006305 ]

On the assessment of time-resolved diffraction results

B. Fournier and P. Coppens

Synopsis: Agreement factors based on the ratio of intensities R collected in dynamic structure pump-probe crystallography experiments are shown to be analogous to the {\cal R} factors widely used in standard crystallographic refinements. Fourier photodifference maps allow the visualization of the externally induced structural changes in the crystal, but also can be used during refinement to monitor its progress. Photodeformation maps are modified to separate the photo-induced structural change from the effect of the temperature increase on laser exposure.

Online 2 May 2014


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Acta Cryst. (2014). A70, 300-302  [ doi:10.1107/S2053273314004495 ]

Seitz symbols for crystallographic symmetry operations

A. M. Glazer, M. I. Aroyo and A. Authier

Synopsis: The Seitz notation for symmetry operations adopted by the Commission on Crystallographic Nomenclature as the standard convention for Seitz symbolism of the International Union of Crystallography is described.

Online 14 March 2014


 

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Acta Cryst. (2014). A70, 303-307  [ doi:10.1107/S2053273313022894 ]

Notes for authors

Online 2 May 2014


book reviews


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Acta Cryst. (2014). A70, 308  [ doi:10.1107/S2053273314000266 ]

Quasicrystals. A Primer

Online 2 May 2014


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