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Local structure correlations in plastic cyclohexane--a reverse Monte Carlo study.

Abstract:

Two solid phases of cyclohexane have been investigated over a temperature range spanning 13-266 K on a powdered, perdeuterated sample using neutron total scattering. Phase II has an ordered structure (C2/c) that forms below 186 K. Between 186 and 280 K it exists as a plastic solid-phase I (Fm3m), where the molecules are rotationally disordered about the lattice points of the face-centred cubic cell. Data-dependent atomistic configurations that represent the 'instantaneous' crystal structure h...

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Publication status:
Published

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Authors


Funnell, NP More by this author
Goodwin, AL More by this author
Parsons, S More by this author
Tucker, MG More by this author
Journal:
Journal of physics. Condensed matter : an Institute of Physics journal
Volume:
25
Issue:
45
Pages:
454204
Publication date:
2013-11-05
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
URN:
uuid:db634e6d-eba5-454d-a0b7-b784d9f171bb
Source identifiers:
436086
Local pid:
pubs:436086
Language:
English

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