Gd_2O_2SO_4粉体的合成及其晶体结构确定

Synthesis and crystal structure of Gd_2O_2SO_4 powder

通过750℃,2h煅烧Gd2O3和H2SO4(摩尔比1∶1)的前驱体方法合成了Gd2O2SO4粉体。利用Gd2O2SO4的X射线粉末衍射数据和Material Studio4.0 Reflex模块中Powder solve技术和Rietveld精修方法对Gd2O2SO4的晶体结构进行了研究。研究表明:Gd2O2SO4具有空间群为PMNB(62)的正交晶系,晶胞参数为a=1.2996nm,b=0.8117nm,c=0.4184nm,V=0.440698nm3,Z=4,计算密度为6.6949g/cm3,并确定了晶胞中原子的位置,Rietveld精修得到的Rwp=9.15%。

The Gd2 O2SO4 powder was synthesized by calcining the precursor of Gd2O3 and H2SO4 （the proportion of Gd2O3 to H2SO4 in mole was set to be 1： 1） at 750℃ for 2h. The crystal structure of Gd2O2SO4 was studied with X-ray powder diffraction data using powder solve and Rietveld refinement method, operated within the Reflex module of Materials Studio 4.0 software environment. The crystal belongs to orthorhombic system with a space group PMNB（62） ： a=1. 2996nm, b=0.8117nm, c=0.4184nm,V=0. 440698nm3, Z=4, Dc=6. 6949g/ cm3. The atom positions of Gd2O2SO4 crystal cell were also determined and the weighted R factors, Rwp= 9. 15% was obtained by Rietveld refinement.