Abstract

We have discussed the structural evolution in oxide functional materials which, in many cases, can be complex, but a complex structure can always be elucidated from the topological structural evolution of the basic building modules. The properties of a compound are dominated by its composition and structure, including electron configuration, valence states, and bonding characters of cations and anions that determine the configurations of the fundamental structural mosaics of different atoms and the structural building modules (or blocks). The energetically and topologically favored packing of cations and anions is the fundamental principle for building a basic structure. This is the reason that we have explored the basic stacking layers in sodium chlorite, rutile, perovskite, and fluorite structures. A complex structure can usually be constructed from the basic modules. In other words, a new structure can be designed if these basic modules are assembled elegantly with considerations about the constrains of symmetry, coordination, and bonding.

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