论文部分内容阅读
水热法合成了新结构类型化合物CsIn[PO3(OH)]2,并通过单晶X--射线衍射表征结构。标题化合物空间群为P121/c1(No.14),晶体学参数为:Mr=439.69,mP56,a=0.53286(6)nm,b=0.91653(7)nm,c=1.47839(14)nm,β=93.849(9)°,V=0.7204(1)nm3,Z=4,Dx=4.054g·cm-3,μ=8.713mm-1,F(000)=800,R1=0.0325,wR2=0.0874。在该化合物中,2个InO6八面体和4个PO4四面体形成交连的六元环柱,并沿a轴方向形成近六方密堆积并连接成Cs+离子占据的十二元环结构隧道,六元环和十二元环连接构筑了三维网络结构。与类似化学计量比化合物Na2In2[PO3(OH)]4·H2O比较,标题化合物中十二元环的形成明显取决于隧道阳离子的大小,其拓扑构造可看作扩展的6,3-网格连接,化合物RbIn[PO3(OH)]2与之同构。
The new structure type compound CsIn [PO3 (OH)] 2 was synthesized by hydrothermal method and characterized by single crystal X - ray diffraction. The crystallographic parameters were: Mr = 439.69, mP56, a = 0.53286 (6) nm, b = 0.91653 (7) nm and c = 1.47839 (14) nm, respectively. The space group of the title compound was P121 / = 93.849 (9) °, V = 0.7204 (1) nm3, Z = 4, Dx = 4.054 g · cm -3, μ = 8.713 mm -1, F (000) = 800, R 1 = 0.0325, wR 2 = 0.0874. In this compound, two InO6 octahedra and four PO4 tetrahedra form a six-membered ring cross-linked and form a nearly hexagonal close-packed along the a-axis and connected into a twelve-membered ring structure tunnel occupied by Cs + ions, Ring and twelve yuan link to build a three-dimensional network structure. The formation of a twelve-membered ring in the title compound is significantly dependent on the size of the tunnel cation as compared to a similar stoichiometric compound of Na2In2 [PO3 (OH)] 4-H2O. Its topological configuration can be viewed as an extended 6,3-mesh junction , The compound RbIn [PO3 (OH)] 2 is isomorphic.