Mn_5(PO_3(OH))_2(PO_4)_2(H_2O)_4的水热合成和晶体结构研究

Hydrothermal synthesis and structure of compound Mn_5(PO_3(OH))_2(PO_4)_2(H_2O)_4

在水热反应的条件下合成了具有开放骨架结构的Mn5(PO3(OH) ) 2 (PO4) 2 (H2 O) 4,并用单晶X射线衍射方法对其结构进行了测定 ,该晶体属单斜晶系 ,空间群C2 C,a =1.76 0 5 8(11)nm ,b =0 .9140 5 (4)nm ,c=0 9490 1(4)nm ,β=96 .5 180 (19)° ,V =1.5 1733(13)nm3,Mr =72 8.6 6 ,Z =4,Dc =3.190g·cm- 3 ,μ(MoKα) =4.5 86mm- 1 ,F (0 0 0 ) =142 0 ,R =0 .0 2 0 7,wR =0 .0 6 14.标题化合物由MnO6 八面体和PO4四面体通过共顶点或共棱相连 ,形成具有二维孔道的开放性骨架结构 .

The title compound Mn 5(PO 3(OH)) 2(PO 4) 2(H 2O) 4 was synthesized under hydrothermal condition, with a two dimentional open framework structure along b axis and c axis, and its crystal structure was determined by X-ray diffraction. It belonged to monoclinic system, space group 2/C , with a= 1.760?58(11)nm, b0.914?05(4)nm, c=0.949?01(4)nm; β=96.518?0(19)°, V=1.517?33(13)nm3, M r=728.66, Z=4, D c=3.190?g·cm3, μ(Mo K α)= 4.586?mm -1 , F000)=1?420, final R=0.020?7(wR=0.061?4) for 1?585 observed reflections with I>2σ(I).