Geometrical aspect of solving the problem of real structure growth on the model of alkali metal halides of the NaCl type |
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| Authors: | V. G. Rau A. A. Pugaev T. F. Rau A. V. Maleev |
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| Affiliation: | (1) College of Chemistry and Materials Science, Anhui Normal University, No. 1, Beijing East Road, Wuhu City, Anhui Province, 241000, P.R. China;(2) Department of Physical Chemistry, University of Science and Technology Beijing, Beijing, 100083, P.R. China; |
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| Abstract: | The formation of a nanoscale packing polyhedron of layer-by-layer model-structure growth using a specified system of bonds between structural units, which determines the space partition in crystalline or quasicrystalline state of matter, was described in [1]. In a continuation of these studies, the application of the mechanism of sectorial layer-by-layer growth of the structural unit neighborhood graph to the formation of the spectrum of model coordination packing growth polyhedra of NaCl-type alkali metal halides is considered. A computer experiment based on the cell content clusterization and application of the radial algorithm of neighborhood graph growth showed that the existence of small (NaCl)2 clusters in the form of planar dimers is preferential for the equilibrium growth shape of sodium chloride crystal as a regular cube in the precrystallization state of vapor phase. |
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