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Minerals of the Earth`s Crust
Minerals of the Earth`s Crust

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Structural Studies of the Catalytic Reaction
Structural Studies of the Catalytic Reaction

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Synthesis of a new alkali metal-organic solvent
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Unit 1 Atomic Structure
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XRD and FT-IR Studies on Lead (II) Nitrate doped Histidine Picrate
XRD and FT-IR Studies on Lead (II) Nitrate doped Histidine Picrate

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Exploring Mineral PropertiesName
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... Picosecond pulses with spectral bandwidth of several hundred cm-1 are necessary for a number of applications [1], in particular, for picosecond broadband CARS spectroscopy [2]. The use of noncollinear parametric interaction allows to achieve amplification bandwidths of several hundred cm-1 [3]. In p ...
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The Effects of Varying Force and Contact on ATR
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... the electric field penetrates a short distance beyond the interface. This field, called an evanescent wave, can be absorbed by a sample on the surface (Figure 1). The electric field decreases away from the surface and the penetration depth dp is defined as the distance at which it falls to 1/e of it ...
Observation of total omnidirectional reflection from a one
Observation of total omnidirectional reflection from a one

... the layers with respect to the medium outside the crystal, the narrower is the cone of internal angles. The solid line in Fig. 1 corresponds to the maximum internal angle in the case of an ambient medium with refractive index n = 1. For the structure presented (Fig. 1) an overall forbidden gap is op ...
description and unique crystal-structure of waterhouseite, a
description and unique crystal-structure of waterhouseite, a

... brownish, blade-like crystals which energy-dispersion X-ray analysis showed to contain manganese, phosphorus and a minor amount of arsenic. The powder X-ray-diffraction pattern could not be matched to any known mineral, although similarities were noted to a number of manganese arsenate minerals, inc ...
ppt - National Single Crystal X
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... with lower symmetry than the correct space group. The structure should subsequently be checked for higher symmetry. • About 1% of the 2006 & 2007 entries in the CSD need a change of space group. • E.g. A structure solves only in P1. ADDSYM is a tool to come up with the proper space group and to carr ...
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X-ray crystallography



X-ray crystallography is a tool used for identifying the atomic and molecular structure of a crystal, in which the crystalline atoms cause a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their disorder and various other information.Since many materials can form crystals—such as salts, metals, minerals, semiconductors, as well as various inorganic, organic and biological molecules—X-ray crystallography has been fundamental in the development of many scientific fields. In its first decades of use, this method determined the size of atoms, the lengths and types of chemical bonds, and the atomic-scale differences among various materials, especially minerals and alloys. The method also revealed the structure and function of many biological molecules, including vitamins, drugs, proteins and nucleic acids such as DNA. X-ray crystallography is still the chief method for characterizing the atomic structure of new materials and in discerning materials that appear similar by other experiments. X-ray crystal structures can also account for unusual electronic or elastic properties of a material, shed light on chemical interactions and processes, or serve as the basis for designing pharmaceuticals against diseases.In a single-crystal X-ray diffraction measurement, a crystal is mounted on a goniometer. The goniometer is used to position the crystal at selected orientations. The crystal is bombarded with a finely focused monochromatic beam of X-rays, producing a diffraction pattern of regularly spaced spots known as reflections. The two-dimensional images taken at different rotations are converted into a three-dimensional model of the density of electrons within the crystal using the mathematical method of Fourier transforms, combined with chemical data known for the sample. Poor resolution (fuzziness) or even errors may result if the crystals are too small, or not uniform enough in their internal makeup.X-ray crystallography is related to several other methods for determining atomic structures. Similar diffraction patterns can be produced by scattering electrons or neutrons, which are likewise interpreted by Fourier transformation. If single crystals of sufficient size cannot be obtained, various other X-ray methods can be applied to obtain less detailed information; such methods include fiber diffraction, powder diffraction and (if the sample is not crystallized) small-angle X-ray scattering (SAXS).If the material under investigation is only available in the form of nanocrystalline powders or suffers from poor crystallinity, the methods of electron crystallography can be applied for determining the atomic structure.For all above mentioned X-ray diffraction methods, the scattering is elastic; the scattered X-rays have the same wavelength as the incoming X-ray. By contrast, inelastic X-ray scattering methods are useful in studying excitations of the sample, rather than the distribution of its atoms.
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