Acta Crystallographica Section A

Foundations of Crystallography

Volume 65, Part 3 (May 2009)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Electron-density isosurface of silicon coloured with electrostatic potential (red for lowest and blue for highest), together with a convergent-beam electron-diffraction (CBED) pattern of silicon. The red regions between neighbouring atoms indicate that the electrostatic potential is lowered due to the excess (bonding) electrons. The electrostatic potential and electron density were determined using a CBED structure-refinement method [Ogata et al. (2008), Acta Cryst. A64, 587-597]. The figure was drawn using VESTA [Momma & Izumi (2008), J. Appl. Cryst. 41, 653-658].

feature articles


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Acta Cryst. (2009). A65, 167-182  [ doi:10.1107/S0108767309007235 ]

60 years of IUCr journals

A. Authier

Synopsis: The birth and growth of the publications and journals of the International Union of Crystallography from 1948 to 2008 are described. Details are given of the pre-war history that led up to their creation and development.

Online 2 April 2009


research papers


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Acta Cryst. (2009). A65, 183-189  [ doi:10.1107/S0108767309003687 ]

Correcting electron-density resolution bias in reciprocal space

A. Altomare, C. Cuocci, C. Giacovazzo, S. Maggi, A. Moliterni and R. Rizzi

Synopsis: Atomic scattering factors are modified to correct the resolution bias in electron-density maps.

Online 13 March 2009


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Acta Cryst. (2009). A65, 190-201  [ doi:10.1107/S0108767309007508 ]

Depth profiling of polymer films with grazing-incidence small-angle X-ray scattering

M. A. Singh and M. N. Groves

Synopsis: A procedure for obtaining depth-specific scattering profiles of laterally defined nanostructure using grazing-incidence small-angle X-ray scattering is described.

Online 2 April 2009


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Acta Cryst. (2009). A65, 202-212  [ doi:10.1107/S0108767309006096 ]

Topological relations between three-periodic nets. II. Binodal nets

V. A. Blatov and D. M. Proserpio

Synopsis: The TOPOS program package was used to generate all subnets of 3- to 12-coordinated binodal nets taken from the Reticular Chemistry Structure Resource database. 38 304 binodal nets with novel topologies were revealed and stored in the TTD collection.

Online 2 April 2009


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Acta Cryst. (2009). A65, 213-226  [ doi:10.1107/S0108767309003638 ]

Crystal topologies - the achievable and inevitable symmetries

G. Thimm

Synopsis: On the basis of a link between a graph-theoretical description of crystal structures and their symmetries, atom positions are constrained. Examples show the presence of implicit and forbidden symmetries.

Online 13 March 2009


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Acta Cryst. (2009). A65, 227-231  [ doi:10.1107/S0108767309004966 ]

Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure

M. Schowalter, A. Rosenauer, J. T. Titantah and D. Lamoen

Synopsis: The Debye-Waller factors of wurtzite-type semiconductors are calculated from ab initio force constants and fitted in the temperature range from 0.1 to 1000 K.

Online 13 March 2009


 

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Acta Cryst. (2009). A65, 232-239  [ doi:10.1107/S0108767309009714 ]

Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles

C. L. Farrow and S. J. L. Billinge

Synopsis: The exact relationship between the atomic pair distribution function and small-angle-scattering equations is established and discussed. This has implications for the structural modeling of nanoparticles.

Online 2 April 2009


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Acta Cryst. (2009). A65, 240-248  [ doi:10.1107/S0108767309004292 ]

Discrete tomography of icosahedral model sets

C. Huck

Synopsis: The main problems in the discrete tomography of mathematical quasicrystals with icosahedral symmetry are investigated.

Online 13 March 2009


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Acta Cryst. (2009). A65, 249-252  [ doi:10.1107/S0108767309008228 ]

The full symmetry and irreducible representations of nanotori

M. Arezoomand and B. Taeri

Synopsis: The full symmetry groups of carbon nanotori are investigated and the irreducible representations and characters of the symmetry groups of chiral and achiral nanotori are discussed.

Online 2 April 2009


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