斜方YBa_2Cu_3O_x高温超导材料粉末衍射线微机指标化

A MICROCOMPUTER INDEXING OF POWDER DIFFRACTION LINES OF ORTHORHOMBIC SUPERCONDUCTOR YBa_2Cu_3O_X

将Hesse—Lipson线条差值方法、尝试误差方法应用于斜方Y Ba_2Cu_3Ox粉末X射线衍射线条指标化。利用Hesse—Lipson方法将所有可能存在的轴面反射找出;用尝试误差方法进行误差控制。微机控制整个计算过程。为加快运行。加入晶胞参数估计值约束条件。

A method is described for an indexing of powder diffraction lines of orthorhombic superconductor yBa_2Cu_3O_X. Firstly, using the differences between sin^2Q values and the Hesse-Lipson method, some probable pinacoid reflections can be found out,and then, using the trial-and-error method the accuracy required for indexineg can be obtained by error control. All the calculations were performed with a personal microcomputer. In order to speed up the operation,it is necessary to use the estimated size of unit-cell as a restraining factor