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wormma

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8楼: Originally posted by huahua1216 at 2011-12-08 13:54:33:
如果N3 N3'在同一侧 应该就是垂直纸面的二重轴了吧

同意。
OneforAll,AllforOne
11楼2011-12-08 14:16:41
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zhmiao119

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10楼: Originally posted by wormma at 2011-12-08 14:15:37:
hongma@indiana.edu

已发您邮箱了,谢谢!
12楼2011-12-08 15:15:44
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zhmiao119

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8楼: Originally posted by huahua1216 at 2011-12-08 13:54:33:
如果N3 N3'在同一侧 应该就是垂直纸面的二重轴了吧

那该怎么写呢?The Nd atom is located on a twofold axis?
13楼2011-12-08 15:17:02
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wormma

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from your CIF, coordinates of Nd  are:
0  -0.46855(3)  1/4
x, and z are fixed, while y is a free variable, agrees exactly with case 2 in what I said earlier: if y is a free variable, the site symmetry of Nd is 2.

probably you can write : the site symmetry of Nd is 2.
this expression is slightly different from "the Nd atom is located on the 2-fold axis" in that there are two possibilities for Nd on the 2 fold axis: one is that Nd on 2-fold axis but not on the mirror, the site symmetry is 2. This is your case. The other one is that Nd sits on 2-fold axis, and on mirror at the same time. the site symmetry is -1. This is not your case.

Hope this helps.
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14楼2011-12-08 21:38:04
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zhmiao119

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14楼: Originally posted by wormma at 2011-12-08 21:38:04:
from your CIF, coordinates of Nd  are:
0  -0.46855(3)  1/4
x, and z are fixed, while y is a free variable, agrees exactly with case 2 in what I said earlier: if y is a free variable, the site sy ...

3ks!
15楼2011-12-09 00:20:54
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