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单词 structure factor
释义
structure factor

Chemistry
  • A quantity that is measured in scattering experiments and that gives information about the structure of the material. In the case of a crystal it is denoted Fhkl, where h, k, and l are the Miller indices of the crystal. Fhkl is defined by the equation:

    Fhkl=ifiexp[2πi(hxi+kyi+lzi)],

    where the sum is over all atoms of the unit cell and fi is the scattering factor for atom i defined by:

    fi=4π0(ρsinkr/kr)r2dr,

    where k = 4πsinθ/λ‎, where θ‎ is the Bragg angle (see Bragg’s law), λ‎ is the wavelength of the X-rays, and ρ‎ is the electron density distribution of the atom i. The structure factor is used extensively in X-ray crystallography. It is also used widely in the theory of liquids, as it is related to the radial distribution function. In X-ray crystallography the square of the modulus of the structure factor for a set of crystal planes with Miller indices h, k, l is proportional to the intensity of reflection from these planes.


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