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qipengos

铁虫 (初入文坛)

[求助] 四方相晶格,化学键少一个,是怎么回事?

如图所示,Ti-O键应该是6个才对,图中只有5个,这是怎么回事?

以下是钛和氧的坐标:
Ti      1.949955392845      1.949955399257      2.249952975072
  O      1.950085007743      1.950084816408     -0.006106542616
  O      1.950031692489     -0.013611841173      2.072853030939
  O      1.949860975039      3.913536221650      2.072970195163
  O     -0.013611867944      1.950031642701      2.072853243598
  O      3.913536214438      1.949860989231      2.072969796361
  O      1.949920973628      1.949921059812      4.163691935174




[ Last edited by qipengos on 2011-12-22 at 09:54 ]
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qipengos

铁虫 (初入文坛)

昨天没传上图片,不好意思。
2楼2011-12-22 09:55:24
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