The X-ray Diffraction of a Bicrystal with a Narrow Plate-Shaped Nondiffracting Zone

The problem of X-ray diffraction by a bicrystalline system containing a narrow nondiffracting zone with an arbitrary smooth profile is theoretically considered.

X-ray Diffraction Structural Investigations of a Bicrystalline System by Section Topography under Conditions of Anomalous Borrmann Absorption

The problem of spherical X-ray diffraction by a bicrystalline system with a thin surface layer is theoretically considered for a Laue set-up in the case μ t ≫ 1 under the condition of the existence of a crystal lattice mismatch.

A Transferable Interatomic Potential for Alkali Chlorates and Bromates

Interatomic potential parameters obtained via empirical fitting techniques provide good agreement between predicted and experimentally derived structural parameters for a range of alkali chlorate and bromate salts.

Modeling Thermal Diffuse Scattering in Electron Diffraction InvolvingHigher-Order Laue Zones

This paper discusses features of the Einstein model for thermal diffuse scattering that are important for the correct interpretation of convergent-beam electron diffraction patterns containing higher-order Laue-zone lines.

A General Maximum-Entropy Method for Model-Free Reconstructions of Magnetization Densities from Polarized Neutron Diffraction Data

The principle of maximum entropy is applied to the problem of spin-density reconstructions in non-centrosymmetric crystal structures,leading to a general algorithm that should be useful for reconstructingspin densities in virtually any physical system.

Incorporating Tangent Refinement in the Shake-and-Bake Formalism

The tangent formula is an efficient means of phase refinement for small structures (<100 atoms) in the context of the Shake-and-Bake procedure. Parameter shift is a more robust phase-refine- ment method for larger structures.

The Pseudo-Atom Approach to Phase Determination in Protein Electron Crystal-lography – Noncentrosymmetric Projections

Rescaling of low-resolution protein diffraction intensities by pseudo-atom `globular' scattering factors can facilitate ab initio structure determination.

Coset Decomposition of Space Groups: Applications to Domain Structure Analysis

Coset decomposions of space groups are systematically ana- lyzed. An efficient method has been developed, which exploits the specific structure of space groups, to determine for any group–subgroup relation of space groups minimal sets of double-coset representatives and to decompose double cosets into their left cosets. The results are applied in general and in terms of a concrete example to describe the domain structure analysis in structural phase transitions.

Computing Maximal Subgroups and Wyckoff Positions of Space Groups

Algorithms for the computation of maximal subgroups and Wyckoff positions of space groups are given. Implementations of these algorithms are made publicly available.

A Method for Obtaining a Possibly Unique (Unambiguous) Crystal Structure Solution using Multiple Resonant Scattering Data

With an algebraic method, partial structures of anomalous scatterers are determined using multiple-wavelength data from central reciprocal-lattice rows. For centrosymmetric structures, a new determinant evaluates all sign variations, thus finding all possible structures and perhaps the only `true' one within the error limits induced by the quality of experimental data.

A Universal Treatment of X-ray and Neutron Diffraction in Crystals. I. Theory

A general set of solutions of the power transfer equations describing the diffraction in crystal plates is established and the result is in very good agreement with experiment. It is found that the standard formulae in International Tables for Crystallography for the integrated reflection are just the limiting cases of exact solutions.

A Universal Treatment of X-ray and Neutron Diffraction in Crystals. II. Extinction

Exact expressions for secondary-extinction factors for a plane crystal are obtained from the results of the previous paper. and the refinement of the LiF and MgO experiments with this formalism with all the strongest reflections (Y 0 down to 0.026) included shows that the R factor can be as small as 0.014 and 0.053 for LiF and MgO, respectively. An extension of this treatment to spherical crystals is described.

Classification of Lattices: a New Step

A division of lattices into 127 classes, called genera, is constructed in a crystallographically meaningful way. It is a subdivision of both the 44 Niggli lattice characters and the 24 Delaunay symmetrical sorts. In any class, the parameter ranges are open. Lattices of the same genusagree in a number of crystallographically significant properties.

Dirac–Fock calculations of X-ray scattering factors and contributions to the mean inner potential for electron scattering. Erratum.

Erratum to Acta Cryst. (1994), A 50, 481–497.

Virtual scattering of high-energy electrons by plasmons and valence electrons in silicon

The plasmon and valence-electron contribution to the electron virtual scattering potential has been calculated for g = 111 in silicon.

Quasicrystals. A primer by C. Janot

Electron density and bonding in crystals by V. G. Tsirelson and R. P. Ozerov

Industrial crystallization - Process stimulation, analysis and design by N. S. Tavare

Atomic and ion collisions in solids and at surfaces edited by R. Smith

Collected works of Dorothy Crowfoot Hodgkin. Vol. I. Insulin. Vol. II. Cholestrol, penicillin and other antibiotics. Vol. III. General crystallography and essays edited by G. G. Dodson, J. P. Glusker, S. Ramaseshan and K. Venkatesan