ABSTRACT The real-space total scattering atomic Pair Distribution Function (PDF) method has been used to study the effect of temperature (T) on the structural features of the manganite . The powder X-ray diffraction data were collected as a function of T ranging from 92 to 300 K. The PDF data were analyzed at a value of and a room temperature model was used for the refinement of the data at two different refinement ranges (r-ranges): 1.7–10 and 1.7–30 for all the temperatures. Good agreements between the model and the PDF data were obtained with good agreement factor () values and a possible evidence for a structural phase transition (mainly from an orthorhombic Imma to a monoclinic phase) was observed at T = 145 K through the variation of the lattice parameters a, b, and c, and of as T decreases.

中文翻译：

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从高实空间分辨率 X 射线衍射观察 Nd0.5Sr0.5MnO3 中的结构相变

摘要 实空间全散射原子对分布函数 (PDF) 方法已被用于研究温度 (T) 对锰矿结构特征的影响。收集粉末 X 射线衍射数据作为 T 的函数，范围为 92 至 300 K。 PDF 数据在 0 的值下进行分析，并使用室温模型在两个不同的细化范围（r -ranges)：1.7-10 和 1.7-30 适用于所有温度。模型和 PDF 数据之间获得了良好的一致性，具有良好的一致性因子 () 值，并且在 T = 145 K 时观察到结构相变的可能证据（主要从斜方晶相到单斜晶相）通过晶格参数 a、b 和 c，以及随着 T 的减小。