La2/3Ca1/3Mn1-xCrxO3（x=0.0，0.1）晶体结构的中子衍射研究

La_2/3Ca_1/3Mn_1-xCr_xO₃（x=0.0，0.1）晶体结构的中子衍射研究

摘要: 采用传统高温固相反应法合成钙钛矿型多晶样品。在室温下分别测量了La_2/3Ca_1/3Mn_1-xCr_xO₃(x=0.0,0.1)的中子粉末衍射谱，采用Rietveld峰形精修方法对衍射数据进行拟合，得到样品晶胞参数和原子坐标，根据原子坐标计算了与稀土锰氧化物宏观磁性能密切相关的锰氧键的键长和键角。

Abstract: Polycrystalline samples of the perovskite-type manganites La_2/3Ca_1/3Mn_1-xCr_xO₃ (x=0.0,0.1) were synthesized by traditional solid state reaction method. The neutron powder diffraction patterns were measured at room temperature for the synthesized polycrystalline sample. The diffraction data were fitted by means of Rietveld profile refinement, and the atomic positions and the lattice parameters were obtained. The Mn—O bond length and Mn—O—Mn angle closely related to the magnetic properties of manganites were calculated according to the atomic positions.