Crystal structure of a perfect carbyne

Belenkov EA; Mavrinsky VV

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Crystal structure of a perfect carbyne

机译：完美的卡宾石的晶体结构

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The crystal structure of a perfect carbyne is calculated by the molecular mechanics methods. It is established that the carbyne crystals should consist of polycumulene chains arranged in hexagonal bundles. The unit cell of the perfect carbyne crystal is trigonal and contains one carbon atom. The unit cell parameters are as follows: a = b = c = 0.3580 nm, alpha = beta = gamma = 118.5 degrees, and space group P3m1. The perfect carbyne single crystals have a stable structure at room temperature if the length of their constituent chains is larger than 500 nm.

机译：理想的卡宾炔的晶体结构是通过分子力学方法计算的。已经确定，碳炔晶体应由以六边形束排列的聚枯烯链组成。理想的卡宾晶体的晶胞是三角形的，并且包含一个碳原子。晶胞参数如下：a = b = c = 0.3580 nm，alpha = beta = gamma = 118.5度，空间群P3m1。如果理想的卡宾单晶的组成链长度大于500 nm，则其在室温下具有稳定的结构。

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《Crystallography reports》 |2008年第1期|共5页
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Belenkov EA; Mavrinsky VV;
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正文语种 eng
中图分类晶体学;
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机译：完美的卡宾石的晶体结构
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Crystal structure of a perfect carbyne

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