Acta Crystallographica Section B

Structural Science

Volume 68, Part 1 (February 2012)

research papers

Acta Cryst. (2012). B68, 66-70    [ doi:10.1107/S0108768111046593 ]

An order-disorder phase transition in the structure of C60·4benzene

M. M. Olmstead, A. L. Balch and H. M. Lee

Abstract: A reversible, broad, order-disorder phase transition in the structure of C60·4benzene has been observed to take place with an inflection point at 134 K. In the low-temperature structure fullerene disorder is removed, although the average atomic displacement parameters differ for the two C60 molecules in the asymmetric unit. Some benzene disorder persists, even at 13 K.

Keywords: [60]fullerene; order-disorder; phase transition.

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[ doi:10.1107/S0108768111046593/ry5039sup5.pdf ]
Figure showing the intensity of several reflections as temperature changes


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