24小时热门版块排行榜

返回列表

holisky

新虫 (小有名气)

应助: 1 (幼儿园)
金币: 122.6
散金: 80
帖子: 136
在线: 46.3小时
虫号: 2611188
注册: 2013-08-22
性别: GG
专业: 金属材料的合金相、相变及

[求助] 这些对称操作是什么意思

大家好，我近期用个小软件分析一个晶体结构的对称操作，出来下面的结果，不太明白是什么意思，希望行家能给些指示，如下：

Tol=0.002 24 symmetry operations found.
1  axis along (-0.000,-0.000, 1.000) through (0,0,0)
4_1 axis along ( 0.000, 0.000, 1.000) through (-0.250000,0.500000,-0.000000)
2_1 axis along ( 0.000, 0.000, 1.000) through (0.250000,0.000000,-0.000000)
4_3 axis along ( 0.000, 0.000, 1.000) through (0.250000,0.000000,-0.000000)
2_1 axis along ( 1.000, 0.000, 0.000) through (-0.000000,0.250000,0.000000)
2  axis along ( 1.000,-1.000, 0.000) through (0.375000,0.375000,0.375000)
2_1 axis along ( 0.000, 1.000, 0.000) through (0.000000,-0.000000,0.250000)
2_1 axis along ( 1.000, 1.000, 0.000) through (0.125000,-0.125000,0.125000)
3  axis along ( 1.000, 1.000, 1.000) through (0,0,0)
2_1 axis along ( 1.000, 0.000, 1.000) through (-0.125000,0.125000,0.125000)
3  axis along ( 1.000,-1.000, 1.000) through (0.333333,0.166667,-0.166667)
4_1 axis along (-0.000, 1.000, 0.000) through (0.500000,-0.000000,-0.250000)
3  axis along (-1.000,-1.000, 1.000) through (-0.166667,0.333333,0.166667)
2  axis along (-1.000, 0.000, 1.000) through (0.375000,0.375000,0.375000)
3  axis along (-1.000, 1.000, 1.000) through (0.166667,-0.166667,0.333333)
4_3 axis along (-0.000, 1.000, 0.000) through (-0.000000,-0.000000,0.250000)
3  axis along ( 1.000, 1.000, 1.000) through (0,0,0)
4_3 axis along ( 1.000, 0.000, 0.000) through (-0.000000,0.250000,0.000000)
3_1 axis along (-1.000, 1.000, 1.000) through (0.166667,0.166667,0.000000)
2_1 axis along (-0.000, 1.000, 1.000) through (0.125000,0.125000,-0.125000)
3_1 axis along ( 1.000,-1.000, 1.000) through (0.000000,0.166667,0.166667)
2  axis along ( 0.000,-1.000, 1.000) through (0.375000,0.375000,0.375000)
3_2 axis along (-1.000,-1.000, 1.000) through (0.166667,0.000000,0.166667)
4_1 axis along ( 1.000, 0.000, 0.000) through (-0.000000,-0.250000,0.500000)

前面的数字如4_1不太清楚是什么意思，旋转轴吗？为什么只有旋转对称？through后的坐标也不太清楚什么意思，晶体结构里的原子没有这些坐标，而且这些坐标貌似是较规则的位置，数字基本是0、1/2、1/4、1/6、3/8等等。

该怎么看这些结果呢？

谢谢！

回复此楼