Foundations of Crystallography

 

Acta Cryst. (2002). A58, 415-423  [ doi:10.1107/S0108767302008218 ]

Confined structures: basic crystallographic aspects

L. De Caro, C. Giacovazzo and D. Siliqi

Synopsis: The basic crystallography of confined structures has been established

Online 23 August 2002

 

Acta Cryst. (2002). A58, 424-428  [ doi:10.1107/S0108767302008747 ]

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

N. K. Mukhopadhyay and E. A. Lord

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

Online 23 August 2002

 

Acta Cryst. (2002). A58, 429-433  [ doi:10.1107/S0108767302006189 ]

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

R. Veysseyre and H. Veysseyre

Synopsis: 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.

Online 23 August 2002

 

Acta Cryst. (2002). A58, 434-440  [ doi:10.1107/S0108767302006219 ]

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

R. Veysseyre, D. Weigel, T. Phan and H. Veysseyre

Synopsis: 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.

Online 23 August 2002

 

Acta Cryst. (2002). A58, 441-447  [ doi:10.1107/S010876730200911X ]

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

J. C. Johnston, W. I. F. David, A. J. Markvardsen and K. Shankland

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

Online 23 August 2002

 

Acta Cryst. (2002). A58, 448-450  [ doi:10.1107/S0108767302009704 ]

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

W. Jauch and A. Palmer

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

Online 23 August 2002

 

Acta Cryst. (2002). A58, 451-459  [ doi:10.1107/S0108767302008759 ]

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

I. Bytheway, G. S. Chandler and B. N. Figgis

Synopsis: 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.

Online 23 August 2002

 

Acta Cryst. (2002). A58, 460-463  [ doi:10.1107/S0108767302011182 ]

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

S. Ciccariello

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

Online 23 August 2002

 

Acta Cryst. (2002). A58, 464-472  [ doi:10.1107/S0108767302010991 ]

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

T. Koritsanszky, A. Volkov and P. Coppens

Synopsis: 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.

Online 23 August 2002

 

Acta Cryst. (2002). A58, 473-486  [ doi:10.1107/S0108767302011327 ]

Concerning intensity profiles observed in the `real experiment'

E. Rossmanith

Synopsis: 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.

Online 23 August 2002

 

Acta Cryst. (2002). A58, 487-493  [ doi:10.1107/S0108767302011261 ]

Rocking-curve width of sagittally bent Laue crystals

Z. Zhong, C. C. Kao, D. P. Siddons and J. B. Hastings

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

Online 23 August 2002

 

Acta Cryst. (2002). A58, 494-501  [ doi:10.1107/S0108767302011455 ]

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

H. B. Wang, H. Jiang, F. H. Li, G. C. Che and D. Tang

Synopsis: 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.

Online 23 August 2002

 

Acta Cryst. (2002). A58, 502-505  [ doi:10.1107/S010876730201259X ]

On the symmetry of simple 12- and 13-hedra

Y. L. Voytekhovsky and D. G. Stepenshchikov

Synopsis: 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.

Online 23 August 2002

 

Acta Cryst. (2002). A58, 506  [ doi:10.1107/S0108767302011637 ]

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

B. Steipe

Synopsis: 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].

Online 23 August 2002

 

Acta Cryst. (2002). A58, 507  [ doi:10.1107/S0108767302012047 ]

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

B. Steipe

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

Online 23 August 2002

 

Acta Cryst. (2002). A58, 507  [ doi:10.1107/S010876730201245X ]

A multigrid approach to the average lattices of quasicrystals. Erratum

J. L. Aragón, G. G. Naumis and M. Torres

Synopsis: Erratum to Acta Cryst. (2002), A58, 352-360.

Online 23 August 2002

 

Acta Cryst. (2002). A58, 508  [ doi:10.1107/S0108767302013120 ]

The atomistic nature of crystal growth

Online 23 August 2002

 

Acta Cryst. (2002). A58, 508  [ doi:10.1107/S0108767302010541 ]

Symmetry 2000. Parts 1 & 2

Online 23 August 2002