The Probability Distribution of Structure Factors with Non-Integral Indices. I. The P1 Case

The probability distribution of structure factors with non-integral indices is derived in P1.

Accurate Charge-Density Studies as an Extension of Bayesian Crystal Structure Determination

Algorithms capable of performing accurate charge-density studies have been implemented within the existing computer program BUSTER, as part of a comprehensive programme for doing crystallography within a Bayesian theory of crystal structure determination. Model studies on noise-free synthetic data sets for α-glycine, silicon and beryllium show that all-electron calculations give rise to artefacts when a uniform prior prejudice is used, while valence-only calculations using valence monopole priors are essentially free from artefacts.

Noncentrosymmetric Structure of a Decagonal Al₇₀Mn₁₇Pd₁₃ Quasicrystal

The first detailed X-ray structure analysis of a decagonal quasicrystal with a noncentrosymmetric space group is presented.

Thermal Diffuse Scattering in Angular-Dispersive Neutron Diffraction

The theoretical treatment is given of one-phonon thermal diffuse scattering (TDS) in angular-dispersive neutron diffraction. Just as for time-of-flight neutron diffraction, forbidden TDS regions exist for slower-than-sound neutrons.

Average Unit Cell of the Fibonacci Chain

An average unit cell for the Fibonacci chain has been constructed in physical space. An analytical expression for the diffraction peak intensities has been derived.

Ab Initio Calculation of the Structure Factors and Compton Profiles of Cubic Silicon Carbide

The charge density, structure factors and Compton profiles of SiC-3C have been calculated at the Hartree–Fock and density functional theory levels. The properties of SiC-3C compare very well with those of semiconductors having the same structure as silicon, diamond and cubic boron nitride.

Structural Phase Transition Nomenclature. Report of an IUCr Working Group on Phase Transition Nomenclature

A compact and intuitive nomenclature is recommended for naming each phase formed by a given material in a sequence of phase transitions as a function of temperature and/or pressure. The most commonly used label for each phase in a sequence, such as α, β, ⋯, I, II, ⋯ etc., is included in the new nomenclature.

Darwin's approach to X-ray dynamical diffraction in distorted crystals

The recursion equations describing X-ray dynamical diffraction in distorted crystals with a three-dimensional deformation field of arbitrary form have been derived. The analytical solution of these equations has been obtained within the kinematical approximation.

The basics of crystallography and diffraction (IUCr Texts on Crystallography, No. 3) by C. Hammond

Microscopy of semiconducting materials 1997. Institute of Physics Conference Series edited by A. G. Cullis and J. L. Hutchison

Interfacial wave theory of pattern formation by J.-J. Xu

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