|Cover illustration: A structural model of the decagonal Al-Pd-Mn quasicrystal, which consists of clusters represented by decagons and ten pentagons surrounding each decagon. This is obtained from a periodic structure in five-dimensional space by taking a three-dimensional section. Courtesy of A. Yamamoto.|
Acta Cryst. (1997). A53, 531-534 [doi:10.1107/S010876739700593X]
Acta Cryst. (1997). A53, 535-536 [doi:10.1107/S0108767397008738]
Acta Cryst. (1997). A53, 537-545 [doi:10.1107/S0108767397006004]
Synopsis: A numerical algorithm is described for calculating the TDS correction to Bragg peaks that are observed in time-of-flight neutron diffraction studies on single crystals.
Acta Cryst. (1997). A53, 546-555 [doi:10.1107/S0108767397004224]
Synopsis: Four different types of twinning in crystals are recognized, based on a tensor distinction of their properties and on a new and rigorous definition of prototype symmetry.
Acta Cryst. (1997). A53, 556-563 [doi:10.1107/S0108767397004236]
Synopsis: A new method for the determination of atomic moments fitted to theoretical or X-X experimental electrostatic potential is described. It is also shown that a reduced set of moments respecting local symmetry and chemical equivalence reproduces accurately V(r) and then can be used in force-field calculations.
Acta Cryst. (1997). A53, 564-575 [doi:10.1107/S0108767397004522]
Synopsis: A method is presented that improves the estimation of structure-factor difference amplitudes by using Bayesian statistics. The method is shown to give significant improvement for poor data and is straightforward to use.
Acta Cryst. (1997). A53, 576-589 [doi:10.1107/S0108767397005539]
Synopsis: Three different multislice formulations for large beam tilt are compared and evaluated. The tested multislice formulations are then applied to calculate higher-order Laue-zone reflections in non-orthogonal crystals.
Acta Cryst. (1997). A53, 590-602 [doi:10.1107/S0108767397005989]
Synopsis: This paper presents a rigorous theoretical framework for understanding X-ray scattering from dislocations. This theory is then applied to the specific case of screw dislocations.
Acta Cryst. (1997). A53, 603-614 [doi:10.1107/S010876739601570X]
Synopsis: Electron crystallography was combined with quantum-mechanical calculations in order to estimate quadratic nonlinear optical coefficients of two-dimensional organic molecules.
Acta Cryst. (1997). A53, 615-631 [doi:10.1107/S0108767397006260]
Synopsis: The scaling symmetry observed in the morphology of snow crystals is analysed on the basis of the point group of a multimetrical space group of ice.
Acta Cryst. (1997). A53, 632-642 [doi:10.1107/S010876739700500X]
Synopsis: High-resolution X-ray synchrotron radiation study of the supersatellites in the feldspar mineral labradorite. Data analysis shows a transverse displacement modulation with a large amplitude.
Acta Cryst. (1997). A53, 643-648 [doi:10.1107/S0108767397006429]
Synopsis: A maximum-entropy algorithm for deconvoluting intensities of multiple Laue diffraction spots is described. Test results have shown that this method is capable of producing high-quality data without the requirement of data redundancy.
Acta Cryst. (1997). A53, 649-662 [doi:10.1107/S0108767397006272]
Synopsis: Extra reflectivity curves, calculated numerically for various periodic multilayers using the optical-matrix method, are used to test the dynamical theory of diffraction.
Acta Cryst. (1997). A53, 663-672 [doi:10.1107/S0108767397005990]
Synopsis: General expressions are derived for the elastic and absorptive atomic scattering amplitudes and for the general case of anisotropic thermal parameters.
Acta Cryst. (1997). A53, 673-675 [doi:10.1107/S0108767397007277]
Synopsis: The application of normal probability methods to a comparison of structural parameters recently derived from independent X-ray and neutron diffraction refinement identifies systematically underestimated uncertainties in addition to significantly differing atomic displacement parameters that previously had been overlooked.
Acta Cryst. (1997). A53, 676-688 [doi:10.1107/S0108767397004856]
Synopsis: A method is proposed for the calculation of combined standard uncertainties for interatomic distances taking into account covariance terms involved by linear relations of symmetry constraints in one-dimensionally modulated crystals.
Acta Cryst. (1997). A53, 689-691 [doi:10.1107/S0108767397008234]
Synopsis: The uniformity characteristics R of crystallographic orbits are studied by the geometrical analysis of the fundamental regions for the corresponding space groups.
Acta Cryst. (1997). A53, 692-748 [doi:10.1107/S0108767397099819]
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