Crystal Structure of [Al4(OH)6(H2O)12][Al(H2O)6]2Br12: A New Polyaluminum Compound
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https://figshare.com/articles/dataset/Crystal_Structure_of_Al_sub_4_sub_OH_sub_6_sub_H_sub_2_sub_O_sub_12_sub_Al_H_sub_2_sub_O_sub_6_sub_sub_2_sub_Br_sub_12_sub_A_New_Polyaluminum_Compound/2608126
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A vertex-shared tetrahedral [Al4(OH)6(H2O)12]6+ (Al4) and a disordered [Al(H2O)6]3+ (Al1) that coexist in a 1:2 ratio within each unit cell were observed in the structure of [Al4(OH)6(H2O)12][Al(H2O)6]2Br12, which crystallized in a cubic Fd3̅m space group from a spontaneously hydrolyzed solution of AlBr3. The former is composed of four AlO6 octahedra that are connected to each other by sharing three vertexes of each octahedron and form a large regular tetrahedron with ideal Td symmetry. The central Al3+ ion of the latter is coordinated by 6 disordered OH2 molecules, that form a core–shell structure with ideal D3d symmetry.
创建时间：
2016-02-22
