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321 Aktuelle Fachpublikationen in Acta Crystallographica Section A

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Grazing‐incidence small‐angle X‐ray scattering in a twofold rough‐interface medium: a new theoretical approach using the q‐eigenwave formalism

19.10.2015 | F. N. Chukhovskii, B. S. Roshchin, Acta Crystallographica Section A, 2015

Based on the rigorous Green function formalism to describe the grazing‐incidence small‐angle X‐ray scattering (GISAXS) problem, a system of two linked integral equations is derived with respect to amplitudes of the reflected and transmitted plane q‐eigenwaves (eigenstate functions) propagating ...

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Periodic entanglement III: tangled degree‐3 finite and layer net intergrowths from rare forests

19.10.2015 | Myfanwy E. Evans, Stephen T. Hyde, Acta Crystallographica Section A, 2015

Entanglements of two‐dimensional honeycomb nets are constructed from free tilings of the hyperbolic plane () on triply periodic minimal surfaces. The 2‐periodic nets that comprise the structures are guaranteed by considering regular, rare free tilings in . This paper catalogues an array of ...

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Distribution rules of systematic absences on the Conway topograph and their application to powder auto‐indexing: erratum

05.10.2015 | Ryoko Oishi‐Tomiyasu, Acta Crystallographica Section A, 2015

A correction is made to the article by Oishi‐Tomiyasu [Acta Cryst. (2013), A69, 603610].

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Uniqueness of the macromolecular crystallographic phase problem

05.10.2015 | Rick P. Millane, Romain D. Arnal, Acta Crystallographica Section A, 2015

Uniqueness of the phase problem in macromolecular crystallography, and its relationship to the case of single particle imaging, is considered. The crystallographic problem is characterized by a constraint ratio that depends only on the size and symmetry of the molecule and the unit cell. The ...

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Symmetries and color symmetries of a family of tilings with a singular point

05.10.2015 | Imogene F. Evidente, Rene P. Felix, Manuel Joseph C. Loquias, Acta Crystallographica Section A, 2015

Tilings with a singular point are obtained by applying conformal maps on regular tilings of the Euclidean plane and their symmetries are determined. The resulting tilings are then symmetrically colored by applying the same conformal maps on colorings of regular tilings arising from sublattice ...

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Orbits of crystallographic embedding of non‐crystallographic groups and applications to virology

30.09.2015 | Reidun Twarock, Motiejus Valiunas, Emilio Zappa, Acta Crystallographica Section A, 2015

The architecture of infinite structures with non‐crystallographic symmetries can be modelled via aperiodic tilings, but a systematic construction method for finite structures with non‐crystallographic symmetry at different radial levels is still lacking. This paper presents a group theoretical ...

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Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems

30.09.2015 | Pavol Juhás, Christopher L. Farrow, Xiaohao Yang, Kevin R. Knox, Simon J. L. Billinge, Acta Crystallographica Section A, 2015

A strategy is described for regularizing ill posed structure and nanostructure scattering inverse problems (i.e. structure solution) from complex material structures. This paper describes both the philosophy and strategy of the approach, and a software implementation, DiffPy Complex Modeling ...

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Hexagonal projected symmetries

31.08.2015 | Juliane F. Oliveira, Sofia B. S. D. Castro, Isabel S. Labouriau, Acta Crystallographica Section A, 2015

In the study of pattern formation in symmetric physical systems, a three‐dimensional structure in thin domains is often modelled as a two‐dimensional one. This paper is concerned with functions in that are invariant under the action of a crystallographic group and the symmetries of their ...

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Three new crystal structures in the Na–Pb system: solving structures without additional experimental input

31.08.2015 | Logan Ward, Kyle Michel, Chris Wolverton, Acta Crystallographica Section A, 2015

The structures of three Na–Pb compounds, γ, δ and δ′, have remained incompletely solved for nearly 60 years. The space group, lattice parameters and positions of the Pb atoms of these three structures have been determined, but the positions of the Na atoms are still unknown. In this work, the ...

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Solution of the phase problem at non‐atomic resolution by the phantom derivative method

31.08.2015 | Carmelo Giacovazzo, Acta Crystallographica Section A, 2015

For a given unknown crystal structure (the target), n random structures, arbitrarily designed without any care for their chemical consistency and usually uncorrelated with the target, are sheltered in the same unit cell as the target structure and submitted to the same space‐group symmetry. ...

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