Acta Crystallographica Section A

Foundations of Crystallography

Volume 61, Part 5 (September 2005)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: An experimentally derived plot of the Fermi hole mobility function (FHMF) for urea. The FHMF can be interpreted as a potential energy surface for electron transfer. This plot was obtained from a Hartree-Fock wavefunction constrained to fit measured X-ray diffraction structure factors, using the Tonto program. See Jayatilaka & Grimwood [Acta Cryst. (2004), A60, 111-119].

topical reviews


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Acta Cryst. (2005). A61, 481-493  [ doi:10.1107/S0108767305018209 ]

Polarization anisotropy of X-ray atomic factors and `forbidden' resonant reflections

V. E. Dmitrienko, K. Ishida, A. Kirfel and E. N. Ovchinnikova

Synopsis: In the resonant region near an absorption edge, a polarization anisotropy of the local X-ray susceptibility results in additional reflections otherwise forbidden by screw-axis and/or glide-plane extinction rules.

Online 19 August 2005


research papers


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Acta Cryst. (2005). A61, 494-500  [ doi:10.1107/S0108767305019860 ]

The algebraic approach to the phase problem

A. Cervellino and S. Ciccariello

Synopsis: The algebraic approach to the phase problem for the case of X-ray scattering from an ideal crystal is extended to the case of neutron scattering, overcoming the difficulty related to the non-positivity of the scattering density.

Online 19 August 2005


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Acta Cryst. (2005). A61, 501-511  [ doi:10.1107/S0108767305019963 ]

Graph-theoretical characterization of periodicity in crystallographic nets and other infinite graphs

J.-G. Eon

Synopsis: A method is proposed for determining the isomorphism class of nets from their quotient graph, independently of any embedding.

Online 19 August 2005


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Acta Cryst. (2005). A61, 512-515  [ doi:10.1107/S0108767305020039 ]

Extended X-ray interbranch resonance concept for crystals with a one-dimensional deformation

M. Shevchenko

Synopsis: The X-ray interbranch resonance concept is extended to crystals with a one-dimensional deformation. The new interbranch effect is predicted for a strongly distorted crystal with thickness of the order of the interbranch extinction length.

Online 19 August 2005


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Acta Cryst. (2005). A61, 516-527  [ doi:10.1107/S0108767305024670 ]

Electron crystallography of zeolites - the MWW family as a test of direct 3D structure determination

D. L. Dorset, W. J. Roth and C. J. Gilmore

Synopsis: The 3D crystal structure of zeolites in the MWW framework family is determined from electron diffraction intensities by direct phasing using maximum entropy and likelihood. Although the `missing cone' left from incomplete goniometric data sampling leads to a somewhat distorted model, the true zeolite framework geometry may be recovered by imposing conservative bonding restraints.

Online 19 August 2005


short communications


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Acta Cryst. (2005). A61, 528-530  [ doi:10.1107/S0108767305020106 ]

Polarization factors in the general case of three-wave diffraction

S. Sheludko

Synopsis: Analytical expressions are derived for the polarization factors of three-wave reflections which are functions of the geometrical relations between the relevant crystallographic planes and the spectral and polarization characteristics of the incident radiation.

Online 19 August 2005


book reviews


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Acta Cryst. (2005). A61, 531-532  [ doi:10.1107/S0108767305004307 ]

Crystallography of modular materials

Online 19 August 2005


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