注意:进行XRD衍射图谱分析时,不一般不需要进行平滑图谱和扣除背景等操作,因为这可能会使某些峰失真,但如果测得数据存在较多的杂峰,可以进行一次平滑图谱,这样可以方便物相检索。 双击搜索出来的物相,弹出相应的PDF卡片,从而可以获得对应的晶面指数,2-theta等信息。 3、晶粒大小计算 衍射粉末晶粒大小的计算主要是以衍射...
1) Usually the XRD pattern is obtained w.r.t a surface, i.e, 2Theta is w.r.t sample surface. But in the compute, there was no mention w.r.t what reference frame 2Theta is measured when it computes xrd pattern. Also, for the same sample, is it possible to vary the plane in ...
f: Used to transform the site multiplicities to their true values. For a stoichiometric phase f=1 if these multiplicities are calculated by dividing the Wyckoff multiplicity m of the site by the general multiplicity M. Otherwise f=Occ.M/m, where Occ. is occupation number. t: Is the Brindle...
(xrd)横坐标2-Theta-Scale 是:X射线衍射谱是X射线衍射仪以2θ的角度扫描整个衍射区域,作为角度变化、作为X射线衍射谱的横坐标存在。在不同衍射角(是2θ,不是θ)的衍射峰的强度作为纵坐标。这样组成了XRD谱。X射线衍射谱仪组件中一个设计巧妙的地方就是:装在样品台上的样品随着样品台作θ角度的转动,同时,检测...
首先需要一个 dat 文件,第一行,2theta 起点,步长,终点,下面是每个点的强度。 下面需要编写 pcr 文件,先得到六个晶胞参数,零点,还要得到 18-30 个背景点,才能开始 编写,其他参数设置可以看说明书。如果你以前用 Fullprof精修过结构,则只需修改如下参数: Line 11-2 的 N(num...
常指 2θ<20°）上的 X 射线散射，而现在，小角 X 射线散射通指在低角度范围（常指 2θ<...
另外,在粉末衍射卡的索引书 上有几百种常用物质的Ks a值,称之为参考强度 值(Reference intensity values),它等于某物质与 合成刚玉(a-Al2O3)按1:1 混合后摄得的衍射花样 中,两相最强线的强度比。a-Al2O3因易获得高强 度,化学稳定性好,价格低廉以及制样时无择优 取向效应,故被选作标准物质。...
双击搜索出来的物相,弹出相应的PDF卡片,从而可以获得对应的晶面指数,2-theta等信息。 3、晶粒大小计算 衍射粉末晶粒大小的计算主要是以衍射图谱的半宽高为依据来进行相关计算。如果把衍射峰简单地看作是一个三角形,那么峰的面积等于峰高乘以一半高处的宽度。这个半高处的高度有个专门名词,称为“半高宽”,英文写法是...
The inconsistent behavior in the long-range two theta values of CeO2is elucidated from the crystallite size and strain plot. Hence, the XRD peak profile of the CeO2nanoparticles can be assessed through the Williamson – Hall (W-H), size strain plot (SSP), and Halder – Wagner (H-W) ...
At low 2-theta values, peak intensities are high and peak overlap is small. Therefore, the probability of detecting peaks is fairly high and allowed reflections are likely to be selected for indexing. However, at high 2-theta values, peak intensities are low and peak overlap is strong so ...