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一、引言《标定正交晶系粉末照相指数的计算方法及计算程序》一文中讨论了正交晶系衍射线指数的标定问题。用该文所讨论的计算方法求晶胞参数时,要求被标定物的密度p为已知的。这个要求并不是很容易实现的,因而限制了其适用范围。现有其他计算方法多数在原理上要求尽可能多地测定所出现衍射线的θ值。这就不免要判读一些难于准确判读的衍射线,从而有可能引起较大的判读误差,对于标定衍射线指数这样精细的工作是不允许的。另外,试凑法的成功与否还取决于标定者的熟练程度。
I. INTRODUCTION The calibration of the orthorhombic diffraction line index is discussed in the article “Calculation Methods and Calculation Procedures for Calibration of Orthogonal Crystal Powder Photographic Indexes”. When calculating the unit cell parameters using the calculation method discussed in this paper, the density p of the object to be calibrated is required to be known. This requirement is not easily achieved, thus limiting its scope. Most other existing methods of calculation require, in principle, the determination of theta values of the diffracted rays as much as possible. This inevitably needs to interpret some diffraction lines that are difficult to accurately interpret, which may cause a large interpretation error. Such a fine work of calibrating the diffraction line index is not allowed. In addition, the success of the trial and error method also depends on the calibration of proficiency.