1 - 10 of 34 articles
The properties of Gaussian growth-disorder models are explored and their use for producing realizations of disordered lattices for optical transform analogue experiments is described. Use of Gaussian variables provides greater flexibility than previously described binary ones and in particular...
If the atoms in a unit cell are not almost randomly distributed difficulties may arise in the normal application of direct methods. Structural information can be taken into account mainly by modification of the probability distribution of the E values or by modification of the E values...
An unusually fast method of superposing two sets of atomic coordinates for related molecular structures by least squares is described. It exploits the special nature of the problem and uses the method of conjugate gradients. The calculation takes about 0.003 s and is fast enough to be used in...
An expression is given for the estimated standard deviation of the atom-to-plane distance of an atom defining the least-squares plane.
A general theory for diffuse X-ray scattering from self interstitials in a lattice containing more than one atom per unit cell is presented. Expressions for Laue scattering at the defect and the scattering from the strongly distorted region around the defect are unaffected by the number of atoms...
The symmetry of solid modulated phases can be described by generalized four-dimensional groups, as proposed initially by de Wolff Acta Cryst. (1974), A30, 777-785. In this note alternative derivations of the point symmetries of these phases are given.
The apparent contradiction between NMR and X-ray results concerning the Si, A1 distribution in zeolite A is quantitatively analysed. It is concluded that the Fmc structure model, based on X-ray refinements, is compatible with the NMR data if a cautious chemical-shift assignment is applied. The...
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