Simulating silicate structures and the structural chemistry of pyroxenoids

Chain silicates, both naturally-occurring and synthetic, exhibit ‘backbone repeat’ patterns of corner-linked SiO4 tetrahedra. The extent to which these repeats may be interpreted or predicted, as a function of the associated cation M2+ (in the general formula MSiO3), is discussed, and the broader issues involved in the theoretical simulation of the structures of inorganic silicates are considered.

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