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Experimental study of the electron density in crystals

Communication 5. Electron density of Mg2Si

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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Summary

  1. 1.

    The experimental determination of the structural factors for an alloy, close in composition to the chemical compound Mg2Si, has been carried out.

  2. 2.

    The electron density distribution for four directions of the unit cell of the compound Mg2Si has been calculated by the triple Fourier series method at a calculation temperature of 4800°K.

  3. 3.

    The results obtained indicated an irregular distribution of electron density in the interionic space. Between the silicon ions in the (110) direction, between the magnesium ions and between the ions of magnesium and silicon, a higher electron density is to be observed, amounting to 0.2 el/A3. Between the silicon ions in the (100) direction, the electron density falls to zero.

  4. 4.

    In contrast to the silicon ion, the magnesium ion has an asymmetrical appearance with respect to the electron density distribution.

  5. 5.

    The higher electron density between the atoms points to the presence of homopolar links in the lattice of the compound. The zero electron density is certain parts of the lattice points to the almost complete absence of conductivity electrons.

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Literature cited

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Authors and Affiliations

  1. N. S. Kurnakov Institute of General and Inorganic Chemistry of the USSR Academy of Sciences, Russia

    N. V. Ageev & L. N. Guseva

Authors
  1. N. V. Ageev
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  2. L. N. Guseva
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Ageev, N.V., Guseva, L.N. Experimental study of the electron density in crystals. Russ Chem Bull 1, 31–39 (1952). https://doi.org/10.1007/BF01176569

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  • DOI: https://doi.org/10.1007/BF01176569

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