Structural Variations of Oxides with Edge-Sharing Structure Viewed from Cation-Cation Repulsion-Especially on Garnet Structure

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  • NAKATSUKA Akihiko
    Department of Advanced Materials Science and Engineering, Faculty of Engineering, Yamaguchi University

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  • 陽イオン間斥力からみた稜共有酸化物の構造変化‐ガーネットを中心にして
  • ヨウイオン カン セキリョク カラ ミタ リョウキョウユウ サンカブツ ノ コウゾウ ヘンカ ガーネット オ チュウシン ニ シテ

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The cation-cation repulsions across the shared edges of polyhedra in garnet structure are the most prominent between tetrahedral and dodecahedral cations, and this effect has a significant influence on cation distribution and symmetry change in garnets. Moreover, the shared edge of SiO6 octahedron in stishovite (SiO2), with rutile structure, is more compressible than the unshared edges; this can be explained by Si-Si repulsion across the shared edge. Thus, the cation-cation repulsions across the shared edges of polyhedra cannot be ignored as a significant factor governing the stability of compounds with edge-sharing structures.

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