【摘要】 <正> X 射线粉末法,不仅可利用其粉末图来鉴定矿物,而且,可利用粉末法求出的晶胞参数来研究矿物的化学组成、结构和成因。晶胞参数计算和修正是 X 射线粉末法的一项不可缺少的重要工作之一。利用指标化的 d 值或θ角进行最小二乘方修正的方法,已经比较成熟.在晶系和空间群未知情况下,仅仅利用 d 值进行指标化并计算其晶胞常数,虽然已经进行了许多研究,并取得了很大进展,但成功率并不令人满意。D.E.Appleman更多还原

【Abstract】 "9214" program for indexing and least squares refinement of powder diffraction data suggested by D. B. Appleman et al. is modified into following two programs for microcomputer Cromemeo system Two (64kb, BASIC system) in this paper.(1) Program Ⅰ: The least squares refinement of unit cell from powder diffraction data.(2) Program Ⅱ: The generating and checking of Miller Indices of reflections. The two programs are independent from each other, but have a close correlation.The Cohen’s method was adopted and the reflections with largest error between d and dcal. were deleted in every cycle in this program. A few of reflections with big deviation did not have significant effect on standard error for efinement of unit cell parameters, since these reflections were deleted in the cycle.更多还原