Confined structures: basic crystallographic aspects

The basic crystallography of confined structures has been established

Least path criterion (LPC) for unique indexing in a two-dimensional decagonal quasilattice

The least path criterion (LPC) has been suggested for unique indexing in a two-dimensional decagonal quasilattice while using redundant pentagonal basis vectors.

Crystallographic point groups of five-dimensional space. 1. Their elements and their subgroups

A general method for determining subgroups of any group is explained. Application to crystal family holohedries of 5D space permits the 955 point groups in this space belonging to 32 crystal families to be found.

Crystallographic point groups of five-dimensional space. 2. Their geometrical symbols

Basic principles for the Weigel–Phan–Veysseyre system of crystallographic point groups of any dimensional space are explained. As an application, the 196 point groups belonging to 15 crystal families are given a WPV symbol.

A hybrid Monte Carlo method for crystal structure determination from powder diffraction data

A hybrid Monte Carlo sampling algorithm is applied to the problem of crystal structure determination from powder diffraction data.

Reconsideration of the wavelength dependence of extinction: a γ-ray case

Different extrapolation procedures are examined using γ-ray diffraction data. The wavelength dependence predicted by the standard theory of extinction is confirmed.

Can a multipole analysis faithfully reproduce topological descriptors of a total charge density?

Topologies of total charge densities obtained from crystalline molecular-orbital calculations are compared to those obtained from the multipole refinement of the structure factors obtained from the same densities.

The best two-phase idealization of a sample in small-angle scattering

The equations determining the best discrete-valued approximation to a given electron or scattering-length density function are reported.

Aspherical-atom scattering factors from molecular wave functions. 1. Transferability and conformation dependence of atomic electron densities of peptides within the multipole formalism

The feasibility of building a database of theoretical atomic deformation density parameters applicable to the construction of the densities of biomacromolecules and to the interpretation of their X-ray diffraction data is discussed.

Concerning intensity profiles observed in the `real experiment'

Intensity profiles measured with synchrotron radiation are compared with theoretical intensity distributions. Expressions for the integral width as well as the full width at half-maximum are presented.

Rocking-curve width of sagittally bent Laue crystals

A model for the X-ray rocking-curve width of sagittally bent Laue crystals has been developed and verified.

A study on the position of boron atoms in (Y_0.6Ca_0.4)(SrBa)(Cu_2.5B_0.5)O_7−δ

The substitution of boron atoms for copper was studied by combining high-resolution electron microscopy (HREM) and electron diffraction. The boron atoms were determined to be located at the `chain' Cu sites.

On the symmetry of simple 12- and 13-hedra

The symmetry point groups for all combinatorially non-isomorphic simple 12- and 13-hedra (7595 and 49566, respectively) are contributed in the paper for the first time.

A revised proof of the metric properties of optimally superimposed vector sets

A revised proof is given that the root-mean-square deviation between more than two vector sets after optimal superposition induces a metric. This corrects an error in a previous manuscript [Kaindl & Steipe (1997>). Acta Cryst. A53, 809].

Metric properties of the root-mean-square deviation of vector sets. Erratum

Erratum to Acta Cryst. (1997), A53, 809.

A multigrid approach to the average lattices of quasicrystals. Erratum

Erratum to Acta Cryst. (2002), A58, 352–360.

The atomistic nature of crystal growth

Symmetry 2000. Parts 1 & 2