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Titlebook: Crystal Structure Determination; Werner Massa Textbook 20001st edition Springer-Verlag Berlin Heidelberg 2000 Kristall.Kristallographie.Pu

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發(fā)表于 2025-3-23 11:08:55 | 只看該作者
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Third Parties and Exploitation,o how the various intensities associated with the reflections . arise. It will then become clear how the measurement of the intensities of a large number of reflections can reveal the arrangement of atoms in the unit cell.
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Conclusion: The Legacies of Wolfenden,here is a mirror plane in the unit cell of a structure implies that the positions of only half the atoms need be determined in order to fully describe the structure. Knowledge that there is an inversion center in the diffraction pattern makes it necessary to measure only half of the available reflec
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it which describes the crystal structure reasonably well. There are, however, still substantial errors in these parameters, which arise partly from the approximations of the method of solution, partly from errors in evaluating the maxima in the Fourier synthesis, and partly, of course, from errors i
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cattering atoms alter the radiation neither in amplitude nor in phase (except for the phase shift of π implicit in the scattering of electromagnetic waves). The calculation has been based on atomic scattering factors .. whose vectorial addition takes into consideration the displacements of the atoms
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The results of crystal structure determinations form the basis of several large databases, which are accessible in most countries of the world through local organisations. Three of these contain most of the data of interest to chemical crys-tallographers. They may be accessed at national centers, and they are available on CD-ROM.
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