scholarly journals Lattice row distance

2014 ◽  
Vol 70 (a1) ◽  
pp. C1454-C1454
Author(s):  
Hejing Wang ◽  
Ting Li ◽  
Ling Wang ◽  
Zhao Zhou ◽  
Lei Yuan

Lattice and diffraction are two relating aspects of a crystal. The former reflects the nature of a crystal and the latter describes the basic feature of a crystal. A lattice possesses points and rows two basic characteristics. Great attention has been paid to the points and their distances and directions (angles) they form since the early time of crystallography. Starting from lattice points people have already revealed and found so many regulations in crystals and made great progresses in crystallography. What about the lattice rows? Starting from the geometric relations of reciprocal lattice, we propose six general formulae [1] to describe the relationships between the lattice row distance, the Miller indices h, k, l and the lattice parameters for all crystal systems along any direction. This, like the lattice points, establishes the foundation of the row-indexing, row-refinement of lattice parameters and row-determination of incidence direction theoretically. It is a new method from the lattice row distance to the Miller indices, to the lattice parameters or to the incidence direction. Five steps are optimized for the procedure of "Row-indexing" or "Row-refinement". For example, the procedure of row-indexing is described as 1) measurement of row distance; 2) calculation of row distance; 3) comparison of the measured with the calculated row distances; 4) indexing, and 5) check according to the crystallographic regulations. In respect to diffraction patterns, a series of diffraction spots (points) comprise row(s) and arrange into a series of parallel "lines". When diffraction is strong, diffraction spots are isolated and sharp. However, when diffraction is weak, those spots are obscure or gloomy and often distorted into elongation, asymmetry, deformation, etc. This leads to the outstanding of the rowing "lines" relatively and hence, the row-distance formulae are able to be utilized to structure analysis for those "linear diffraction patterns".

1997 ◽  
Vol 3 (S2) ◽  
pp. 1049-1050
Author(s):  
E. Dimmeler ◽  
K.C. Holmes ◽  
R.R. Schröder

Electron crystallography of thin three-dimensional (3D) protein crystals requires very exact determination of tilt angles and spot profiles to obtain correct merging of diffraction spot amplitudes. The reciprocal lattice of 3D microcrystals consists of ellipsoidal spot profiles which are very extended in the direction normal to the crystal face (z*). To extrapolate from the intensity measured in a section to the total spot intensity, two features need to be known very exactly: 1. the orientation of reciprocal lattice relative to the Ewald sphere, 2. the 3D-shape of the spot cloud.Fig. 1 shows a tilt series of one frozen hydrated catalase crystal, in the order of recording. The third diffraction pattern gives the highest resolution because it is untilted and therefore the electrons have the shortest path length. In the current experimental data taken at 120 keV electron energy inelastic scattering within the crystal leads to a dramatic loss of elastic information in highly tilted patterns.


2020 ◽  
Vol 76 (6) ◽  
pp. 719-734
Author(s):  
Adam Morawiec

The task of determining the orientations of crystals is usually performed by indexing reflections detected on diffraction patterns. The well known underlying principle of indexing methods is universal: they are based on matching experimental scattering vectors to some vectors of the reciprocal lattice. Despite this, the standard attitude has been to devise algorithms applicable to patterns of a particular type. This paper provides a broader perspective. A general approach to indexing of diffraction patterns of various types is presented. References are made to formally similar problems in other research fields, e.g. in computational geometry, computer science, computer vision or star identification. Besides a general description of available methods, concrete algorithms are presented in detail and their applicability to patterns of various types is demonstrated; a program based on these algorithms is shown to index Kikuchi patterns, Kossel patterns and Laue patterns, among others.


Lipson’s optical diffractometer has been used to determine the diffraction patterns of gratings representing crystals with dislocations. The optical method lends itself readily to the solution of the two-dimensional problem of diffraction by a single edge dislocation. The intensity distribution near the ideal reciprocal lattice points is, in general, complex, but for certain special points it is relatively simple and in agreement with that deduced by a new theory of Suzuki. An earlier theory of Wilson’s fails to explain the observed intensity distribution. Diffuse scattering, not predicted by Suzuki’s theory, occurs in the form of streaks joining the reciprocal lattice points. The diffraction has also been studied from gratings consisting of photographs of dislocated bubble rafts, and from a grating whose diffraction pattern is related to that of a screw dislocation. A brief discussion is given of the expected diffraction patterns from crystals with various arrays of dislocations.


Author(s):  
N. Güven ◽  
R.W. Pease

Selected area electron diffraction (SAD) patterns of beidellite exhibit fine structure in the form of nonradial streaks and extra spots between the normal Laue spots. The streaks form a regular network as shown in Figure 1A andvery clearly after a long exposure, in Fig. IB. These streaks do not pass through the origin and they are not symmetrical with respect to the reciprocal lattice points. Therefore they cannot be caused by finite crystallite size. The distribution of the streaks suggests a strong anisotropy in the beidellite structure as they are restricted to the directions parallel to [11], [11], and [02]. However, there are no streaks along the actual [11], [11] and [02] directions. In general terms, these linear streaks are explained by the presence of ‘continuous sheets’ or ‘walls’ of intensity in reciprocal space. These intensity 'walls' are associated with a linear chain of scatterers in the crystal in the direction perpendicular to the intensity sheets. Such linear scatterers may be produced by small shifts of certain atoms due to thermal motion, isomorphic substitutions, distortions, or other lattice imperfections.


Author(s):  
P. L. La Fleur

AbstractThe dispersion of the thermal plane waves (phonons) in crystals can be determined from the x-ray diffraction intensity distribution around a reciprocal lattice point. In the method presented here no higher-order phonon-scattering corrections are necessary. It is shown furthermore that polarizations and dispersion of the phonons can be determined from the intensity distributions around six properly chosen reciprocal lattice points.


2016 ◽  
Vol 49 (1) ◽  
pp. 322-329 ◽  
Author(s):  
A. Morawiec

The Kossel diffraction technique is well suited for investigating crystal lattices. Progress in digital recording of images opens the opportunity for simplification and improvement of the examination of Kossel patterns. Such patterns can be processed immediately after recording if appropriate computer programs are available. To provide such a tool, a new Windows-based software for computer-assisted analysis of Kossel patterns has been developed. With its easy-to-operate user interface, the program is intended to facilitate refinement of lattice parameters and determination of elastic strains. The refinement is based on matching experimental and geometrically simulated patterns, whereas the strain is obtained by matching Kossel line profiles in similar experimental patterns. The software is capable of simultaneous handling of multiple patterns.


2021 ◽  
Vol 54 (3) ◽  
Author(s):  
Gert Nolze ◽  
Tomasz Tokarski ◽  
Łukasz Rychłowski ◽  
Grzegorz Cios ◽  
Aimo Winkelmann

A new software is presented for the determination of crystal lattice parameters from the positions and widths of Kikuchi bands in a diffraction pattern. Starting with a single wide-angle Kikuchi pattern of arbitrary resolution and unknown phase, the traces of all visibly diffracting lattice planes are manually derived from four initial Kikuchi band traces via an intuitive graphical user interface. A single Kikuchi bandwidth is then used as reference to scale all reciprocal lattice point distances. Kikuchi band detection, via a filtered Funk transformation, and simultaneous display of the band intensity profile helps users to select band positions and widths. Bandwidths are calculated using the first derivative of the band profiles as excess-deficiency effects have minimal influence. From the reciprocal lattice, the metrics of possible Bravais lattice types are derived for all crystal systems. The measured lattice parameters achieve a precision of <1%, even for good quality Kikuchi diffraction patterns of 400 × 300 pixels. This band-edge detection approach has been validated on several hundred experimental diffraction patterns from phases of different symmetries and random orientations. It produces a systematic lattice parameter offset of up to ±4%, which appears to scale with the mean atomic number or the backscatter coefficient.


1988 ◽  
Vol 41 (3) ◽  
pp. 511
Author(s):  
A Okazaki ◽  
H Ohe ◽  
Y Soejima

Weak spurious intensities arising from the n-beam interaction (the multiple diffraction) often obscure the existence of screw axes or glide planes. It is pointed out that the n-beam interaction may also introduce� significantly different intensities to a set of crystallographically equivalent reciprocal lattice points. These problems can be solved by making IJI scanning measurements and, more definitely, by a comparison with the simulation based on the Soejima-Okazaki-Matsumoto (1985) formalism; some examples are shown. Since the influence on the intensity reaches 10% for strong reftections and more for weaker ones, a careful examination is essential for the accurate determination of F values.


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