【摘要】 在水热体系中 ,以 1 ,4 -丁二胺为模板剂制备了 Zn5(PO4 ) 4· H3N(CH2 ) 4NH3单晶 ,单晶结构分析表明 ,该化合物属正交晶系 ,Pnma空间群 ,晶胞参数 a=1 .83 4 4 0 (6) nm,b=1 .3 3 0 3 4 (4) nm,c=0 .74 497(2 )nm,β=90°,V=1 .81 80 1 (9) nm3,Z=4 ,Dc=2 .91 2 Mg· m-3,最终因子 R1=0 .0 3 0 9,w R2 =0 .0 80 4 [I>2 σ(I) ].结构中的锌和磷均与氧形成四面体配位 ,该化合物中含有 Zn4 O4 簇 ,Zn4 O4 簇与 PO4 四面体相连 ,形成了篮子状亚结构基元 ,该亚结构基元通过氧桥以正反交替的方式相互连接成三维开放骨架结构更多还原

【Abstract】 The organically templated single crystal of Zn₅（PO₄）₄·H₃N（CH₂）₄NH₃ was synthesized by hydrothermal method and its structure was determined by single-crystal X-ray diffraction. Crystal data: orthorhombic, space group Pnma with lattice parameters a=1.834 40（6） nm, b= 1.330 34（4）} nm, c={0^744 97（2）} nm, β=90°, V=1.818 01（9） nm 3, Z=4, R₁=0.030 9, wR₂={0^080 4} . The framework is built up of a network of ZnO₄ and PO₄ tetrahedra. The Zn₄O₄ clusters in the compound are linked to PO₄ tetrahedra to form basket-shaped building units, which are connected to each other via oxygens, in an alternate up-down manner, to form the three-dimensional architecture.更多还原