Maximum gap rule

As mentioned in the previous paragraphs, to define an atomic environment they used the maximum gap rule. The Brunner-Schwarzenbach method was considered, in which all interatomic distances between an atom and its neighbours are plotted in a histogram such as those shown in Fig. 3.17. The height of the bars is proportional to the number of neighbours, and all distances are expressed as reduced values relative to the shortest distance. In the specific case of CsCl, having a = 411.3 pm,... 

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