Symmetry and Topology Code of Cluster Crystal Structure Self-Assembly for Metal Oxides: Cs11O3-mP56, Rb(Cs11O3)-oP30, Cs(Cs11O3)-oP60, Rb3(Rb4)(Cs11O3)-oP84, (Cs4)(Cs6)(Cs11O3)-hP24, Rb9O2-mP22, (Rb3)(Rb9O2)-hP28, and (Rb2O)3(Rb13)-cF176

Аннотация

Geometric and topologic analysis was carried out for metal oxides Cs₁₁O₃-mP56, Rb(Cs₁₁O₃)-oP30, Cs(Cs₁₁O₃)-oP60, Rb₃(Rb₄)(Cs₁₁O₃)-oP84, (Cs₄)(Cs₆)(Cs₁₁O₃)-hP24, Rb₉O₂-mP22, (Rb₃)(Rb₉O₂)-hP28, and (Rb₂O)₃(Rb₁₃)-cF176, which are formed from oxygen-containing metal melts. Special algorithms of partitioning structural graphs into cluster structures (the TOPOS program package) were used to identify the precursor clusters of crystal structures. The precursor clusters participating in crystal structure self-assembly were identified to be three-octahedral Cs₁₁O₃, two-octahedral Rb₉O₂, octahedral Cs₆, tetrahedral Cs₄ and Rb₄, and icosahedral Rb₁₃. The symmetry and topology code of crystal structure self-assembly from precursor clusters was reconstituted as: primary chain → microlayer → microframework. The Cs₁₁O₃ and Rb₉O₂ crystal structures were found to be self-assembled from three-octahedral clusters Cs₁₁O₃ and two-octahedral clusters Rb₉O₂, respectively. The Rb(Cs₁₁O₃) and Cs(Cs₁₁O₃) framework structures are assembled from clusters Cs₁₁O₃ and accommodate Rb and Cs atoms in their voids. The Rb₃(Rb₄)(Cs₁₁O₃) framework structure is assembled from clusters Cs₁₁O₃ and Rb₄ and accommodates Rb atoms in its voids. The (Cs₆)(Cs₄)(Cs₁₁O₃) framework structure is self-assembled from clusters Cs₁₁O₃, Cs₆, and Cs₄. The Rb₃(Rb₉O₂)-hP₂₈ framework structure is assembled from clusters Rb₉O₂ and atoms Rb; the (Rb₂O)₃(Rb₁₃) framework structure is assembled from icosahedra Rb₁₃ and clusters Rb₂O.