CSD 1031033: Experimental Crystal Structure Determination
Xiangxin TianQian WuPeng ZhaoZheng WangXiaoxiao FengConggang LiYouxuan SunShanpeng WangZeliang GaoXutang Tao
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An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.Keywords:
Crystal (programming language)
When a sound beam is incident onto a periodically corrugated surface, diffraction of the incident sound will be generated. The major diffraction phenomenon, which can be well explained by the classical grating equation, can be easily observed and has been intensively studied. In this work, we report an observation of diffracted waves whose intensity is much weaker than the major diffraction, and who are not expected to appear in the diffraction field. This secondary diffraction can be experimentally observed in the general diffraction configuration as well as in the Bragg diffraction configuration. The analysis of the direction and frequency of the diffracted waves based on the classical grating equation suggests that this diffraction is originated from a propagating wave along the corrugated surface. Such a propagating wave is possibly the experimental evidence of the existence of surface acoustic wave on corrugated interface generated by diffraction.
Diffraction topography
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To analyze the diffraction of high frequency waves one turns often to the geometrical theory of diffraction (GTD) whose aim is to describe this phenomenon in terms of certain factors. These factors involve, among the others, several diffraction coefficients showing the modifications to be considered when a ray is transformed into another one at a diffraction point. The aim of this paper is to analyze the diffraction of creeping waves generated on a perfectly conducting spherical reflector, and thereby to obtain explicit expressions for certain coefficients related to the diffractions occurring at the edges of spherically curved reflectors. The analysis is performed by using an integral transform technique recently developed by one of the authors. Various ray contributions are isolated, and fairly simple nonuniform expressions for the diffraction coefficients are obtained.
Reflector (photography)
Spherical wave
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According to digital image processing,two methods,linear programming and screen digital image intercepting,are discussed in detail to gain various diffraction screens.The former is only applied to show the diffraction screens of some regular diffraction apertures whose diffraction equations can be exactly deduced by mathematic calculation.The latter can be used to draw the diffraction screens of any irregular and complex obstacle.The Fraunhofer diffraction phenomena of various diffraction screens by Fourier transform method are useful not only to apprehend the principle of diffraction theory but also to develop new applications of diffraction phenomena.
Kirchhoff's diffraction formula
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A building is constructed by parts and joints. The joints, each other, have the definite relation. In other words, there is a system in these joints. We call it "Joint System". This is consisted of two systems, "Joint Location System" and "Joint Inner System". The former is where the joints in the building are, and the latter is what the relations between parts in a joint are. We studied "Joint Location System" only, by three aims; 1) To make the abstracted symbols which indicates distinctly the principles of "Joint Location System". 2) To make clear the principles of "Joint Location System" using the abstracted symbols. 3) To make the building construction system based on the principle of "Joint Location System". Contents 1. Aim of this study 2. The concept of "Joint Location System" 3. To make the abstracted symbols 4. Analytic method of "Joint Location System" 5. To analyze the buildings 6. To make the building construction system based on the principle of "Joint Location System" 7. Result
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Intensity
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It is shown that the Fraunhofer approximation, used in the kinematical theory of X-ray diffraction, may fail for a wide variety of crystals with different perfection. The kinematical theory describing the diffraction pattern in the general case is developed. The case of spherical-wave diffraction by a plane parallel crystal is considered in detail. The intensity distribution and the diffraction line width are ascertained to be essentially dependent on the region of diffraction in which the observation plane is located. On the other hand, the diffraction pattern geometry is independent of the diffraction region and is determined only by the crystal structure and the optics of diffraction. The geometry of the diffraction pattern recorded by the divergent-beam method is analysed in detail.
Diffraction topography
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To analyse the diffraction of high frequency waves one recourses often to the Geometrical Theory of Diffraction whose aim is to describe this phenomenon in terms of rays and certain factors. These latters involve several diffraction coefficients showing the modifications which occur when a ray is transformed into another one at a diffraction point. The aim of this paper is to give explicit expressions for certain coefficients related to diffractions occuring at the edges of cylindrically curved reflectors. On account of the locality of high-frequency diffraction phenomenon, all the coefficients given here can also be used, with some precautions, to calculate diffracted fields even when the reflector is not cylindrical.
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X-ray-diffraction microscopy images nanocrystals and nonperiodic objects by directly reconstructing from oversampled diffraction intensities. Successful image reconstruction of nonperiodic objects has so far required additional experiments to supplement the missing data in the diffraction intensities. Reconstruction only from diffraction data is desirable. We show that image reconstruction of nonperiodic objects can be done without any supplemental experiments by applying a modified hybrid input-output algorithm to experimental hard x-ray-diffraction data of a nanostructured pattern.
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The coupled waves method is used to analyze the diffraction of light by randomly modulated volume transparencies (for example, biological objects). A system of coupled equations is solved by reducing them to integrodifferential equations for the amplitudes of the incident and diffracted waves, which are easily solved in the case of randomly modulated transparencies. It is shown that diffraction attenuates the incident wave exponentially and that the wave vectors of the diffracted waves are concentrated near an Ewald sphere. It is also shown that the Fraunhofer diffraction pattern of a volume transparency is a weighted sum of the diffraction patterns of all cross sections of the transparency.
Ray
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