Nd_(0.5)Sr_(0.4)Pb_(0.1)Mn_(0.96)Fe_(0.04)O_3微观结构的中子衍射

Neutron Diffraction on Micro-Structure of Nd_(0.5)Sr_(0.4)Pb_(0.1)Mn_(0.96)Fe_(0.04)O_3

摘要: 采用固相反应法制备了混价钙钛矿型锰氧化物多晶样品Nd0.5Sr0.4Pb0.1Mn0.96Fe0.04O3,在室温下进行了中子粉末衍射测量并用Rietveld峰形精修程序Fullprof2k对实验数据进行了拟合。结果表明:Nd0.5Sr0.4Pb0.1Mn0.96Fe0.04O3样品具有正交的GdFeO3型结构,空间群为Pnma,Nd(Sr、Pb)原子占据4c晶位,Mn(Fe)原子占据4b晶位,O原子分别占据4c和8d两个不等价的晶位,并得到了MnO6八面体中Mn—O—Mn键角和Mn—O键的键长。

Abstract: The mixed valence perovskite-type manganite polycrystalline sample(Nd_(0.5)Sr_(0.4)Pb_(0.1))Mn_(0.96)Fe_(0.04)O_(3) was prepared using a standard solid-state reaction method.The powder neutron diffraction pattern was collected at room temperature,and the data were fitted using Rietveld profile refinement program.The Nd_(0.5)Sr_(0.4)Pb_(0.1)Mn_(0.96)(Fe_(0.04)O_(3)) sample exhibits the orthorhombic GdFeO_(3) structure.The space group is Pnma.(Nd(Sr,Pb)) atoms occupy 4c sites,Mn(Fe) atoms occupy 4b sites,O atoms occupy 4c and 8d sites,respectively.The bond angles of Mn-O-Mn and bond lengths of Mn-O in the MnO_(6) octahedra are obtained.