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In the disordered structure of cubic adamantane, molecules take up two distinct, +/–, orientations. The local configurations and their energetics depend on the distribution of these orientationally different molecules among the nearest neighbour sites of the f.c.c. lattice. The most probable configurations are shown to be 5‘+’ and 6‘+’ around a central ‘+’ molecule at 300 and 500 K, respectively.
S. Ramdas and M. Meyer, J. Chem. Soc., Faraday Trans. 2, 1980, 76, 1586 DOI: 10.1039/F29807601586
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