LaNi_4Al 贮氢合金的晶体结构  

CRYSTAL STRUCTURE OF LaNi 4Al ALLOY FOR STORING HYDROGEN

作　　者：彭述明[1] 赵鹏骥[1] 黄泽宁 姚书久[1] 杨茂年[1] 罗顺忠[1] 

机构地区：[1]中国工程物理研究院核物理与化学研究所

出　　处：《原子能科学技术》1998年第5期456-460,共5页Atomic Energy Science and Technology

摘　　要：通过Ｘ射线衍射分析，利用ＰｏｗｄｅｒＩｎｄｅｘｉｎｇ程序计算了ＬａＮｉ４Ａｌ的晶胞参数和晶胞体积。开发应用计算机软件Ｃａｓｔｅｐ计算了ＬａＮｉ４Ａｌ合金的单胞、双胞及八胞体系的单点能（Ｅｓｐ），确定了Ａｌ对ＬａＮｉ５晶胞中不同位置的Ｎｉ的取代是随机的，其晶体结构与ＬａＮｉ５相同，都属Ｐ６／ｍｍｍ空间群。研究结果为探讨Ｌａ－Ｎｉ－Ａｌ系材料的贮氦机制、贮氢机制提供了依据。The parameters and volume of cell are obtained by X ray diffraction analysis and calculated through Powder Indexing program.The E sp of one,two and eight cells are calculated by appling Castep program in computer software Cerius 2.0. The results show that Ni atom in LaNi 5 can be replaced by Al atom at random. The space group of LaNi 4Al is P6/mmm, just the same as LaNi 5. It provides some evidence for studing the mechanisms of storing hydrogen and helium of La Ni Al alloys.

关 键 词：LaNi4Al合金 晶体结构 单点能 贮氢合金 

分 类 号：TG139.7[一般工业技术—材料科学与工程]