Orientational ordering in solid C60 fullerene-cubane

Journal of Chemical Physics

Volumn 130, Issue 15, 2009, Pages

  Verberck, Bart ^a,b   Vliegenthart, Gerard A ^b   Gompper, Gerhard ^b  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL AXES; CUBIC SYMMETRIES; LOW TEMPERATURES; MOLECULAR CONSTITUENTS; MONTE CARLO SIMULATIONS; ORIENTATIONAL ORDERINGS; ORTHORHOMBIC CRYSTALS; POTENTIAL MODELS; SOLID C;

CRYSTAL SYMMETRY; FULLERENES; MOLECULES; MONTE CARLO METHODS; PHASE TRANSITIONS;

CRYSTAL ORIENTATION;

EID: 65349147589     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3098550     Document Type: Article

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45. 60 fullerite. As shown by Harris and Sachidanandam (Ref.), there are two realizations of its space group (Pa 3-). The two variants are related to each other by an inversion followed by mirroring about the (1 1- 0) plane (or, equivalently, a rotation over π about the [1 1- 0] direction). If we identify the structure shown in Fig. as the first variant, then the structure shown in Fig. is the second variant.
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