Orthotetrahedral crystal structures My(TO4)z (T = Si, Ge, P, As, S, Se, Cl, Br, I): geometrical-topological analysis, quasi-binary representation, and comparison with the AyXz compounds by the method of coordination sequences

Abstract

Abstract Topological analysis of atomic nets in the crystal structures of 284 anhydrous inorganic salts My(TO4)z (T = Si, Ge, P, As, S, Se, Cl, Br, I) containing isolated orthogroups TO4 was performed by means of the program package TOPOS 3.2. The topological relations were found among the My(TO4)z salts and 1164 topological types of the binary compounds AyXz at the two levels: grey isomorphism and partial isotypism. Using the method of coordination sequences nearly a half (47.5%) of the ortho structures in the quasi-binary representation My[T]z were found to match 27 frequent topological types of the binary compounds (NaCl, NiAs, FeB, α-Al2O3, etc.). The model of cation arrays was shown to sometimes disagree with the model of atomic nets while comparing; the reasons of such disagreements were discussed.