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

作　　者：连景宝[1] 李晓东[1] 丁少锋[2] 高铁[3] 孙旭东[1] 

机构地区：[1]东北大学材料各向异性与织构教育部重点实验室,辽宁沈阳110004 [2]华南师范大学光电子材料与技术研究所,广东广州510631 [3]东北大学材料电磁过程教育部重点实验室,辽宁沈阳110004

出　　处：《功能材料》2008年第7期1084-1086,1090,共4页Journal of Functional Materials

基　　金：国家杰出青年科学基金资助项目(50425413)

摘　　要：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.

关 键 词：Gd2O2SO4 X射线粉末衍射 晶体结构 粉末溶解 RIETVELD精修 

分 类 号：O614.33[理学—无机化学] O72[理学—化学]