作者:A Leineweber、O Oeckler、U Zachwieja
DOI:10.1016/j.jssc.2003.09.033
日期:2004.3
The crystal structures of the intermediate solid solution HT (high temperature) Ni1+δSn with δ=0.28, 0.52 and 0.61 (refined Ni contents) have been analyzed in detail by X-ray diffraction on single crystals. The previously reported basic atomic arrangement, i.e., a NiAs/Ni2In structure type (P63/mmc, Ni(1) on 2a, 0 0 0, Ni(2) with an occupancy δ on 2d, and Sn on 2c, ), is confirmed. However, strong anisotropic
通过单晶的X射线衍射,详细分析了δ= 0.28、0.52和0.61(精制的Ni含量)的中间固溶体HT(高温)Ni 1+ δSn的晶体结构。先前报道的基本原子排列,即,NIAS /镍2在结构式(P 6 3 / MMC,镍(1)在2个一,0 0 0,镍(2)与占用δ 2 d,及Sn在2 c上,)被确认。但是,在a – b范围内,Sn会发生强烈的各向异性原子位移六角形晶胞的平面,需要对Sn的概率密度函数进行Gram-Charlier扩展才能获得与衍射数据的良好拟合。可以根据z =±1/4平面上不同局部原子构型的几何要求来解释位移的方向,大小和浓度依赖性,因此可以将位移识别为静态位移。