T. G. Petrova, A. A. Andriyanets-Buykoa, and S. V. Moshkinb. A Twoparameter Alphabet for Coding Structural–chemical Information and its Systematization (using the Example of Tourmaline)
Natural Sciences / Mathematics / Information theory
Submitted on: May 10, 2015, 15:27:58
Description: A method for constructing a twoparameter crystal chemical alphabet for coding crystal chemical formulas (CCFs) for the purpose of their systematization is described. The general principles for coding the crystal chemical formulas are formulated. The twoparameter alphabet is an ordered collection of pairs of symbols in which data on a position and element (PE) that are peculiar to this structural type of mineral are fixed. Stoichiometric coefficients of elements in positions of particular CCFs allow one to construct rank crystal chemical formulas, i.e., sequences of PE pairs in the order of their coefficient decrease. The collection of these rank formulas is sorted on the dictionary principle in accordance with the PE in the proposed alpha bet, allowing one to obtain a hierarchical classification of the CCF codes. The construction of rank CCF for mulas enables one to calculate the entropy characteristics of the obtained codes in studies of transient pro cesses of the structuralâE"chemical states of substances. The method is described using the example of the min eral tourmaline.