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Preview: Forthcoming article in Acta Crystallographica Section A: Foundations of Crystallography

Forthcoming article in Acta Crystallographica Section A Foundations and Advances



Acta Crystallographica Section A: Foundations and Advances covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determination



 









Convex polyhedra with minimum and maximum names
The combinatorial types of convex n-acra with minimum and maximum names for any n ≥ 4 are found. Thus, the latter can be directly calculated from the adjacency matrices of their edge graphs.



Resonant and non-resonant magnetic scatterings with circularly polarized X-rays: magnetic scattering factor and electron density of gadolinium iron garnet
The energy dependence of resonant magnetic scattering factors revealed antiparallel magnetic moments within the t2 (3d) orbitals at the Fe K pre-edge. Circular polarization of X-rays is a powerful tool for examining magnetic electrons via both resonant and non-resonant magnetic scatterings simultaneously.



On the Penrose and Taylor–Socolar hexagonal tilings
A uniform geometric/algebraic approach to the Penrose and Taylor–Socolar hexagonal tilings is given, which clarifies their construction and the way in which they are inter-related.



Groupoids and labelled quotient graphs: a topological analysis of the modular structure in pyroxenes
A signature of partial symmetry operations acting in ortho­enstatite is evidenced in its labelled quotient graph.






Diffuse single-crystal scattering corrected for molecular form factor effects
It is shown that chemical short-range order in two-component molecular crystals can be solved directly by separating the influence of the molecular form factor.



Edge-2-transitive trinodal polyhedra and 2-periodic tilings
All trinodal, edge-2-transitive polyhedra and 2-periodic tilings are described.



The phantom derivative method when a structure model is available: about its theoretical basis
The phantom derivative phasing method has been generalized via the study of joint probability distribution functions involving the prior knowledge of a model electron-density map or of a molecular model structure.



Non-crystallographic symmetry of liquid metal, flat crystallographic faults and polymorph transformation of the M7C3 carbide
The crystal structures of M7C3, M5C2, M3C and M23C6 carbides are determined by the finite projective geometry constructions, namely the Desargues configuration 103 and its subconfigurations. The unique mechanism of the liquid-crystal transition and in situ polymorph transformations between these carbides is described within the framework of the same approach.