Models of fullerene molecules: Deliberately truncated face forms of icosahedral symmetry

Journal Article · Sat Jan 01 00:00:00 EST 1994 · Crystallography Reports

OSTI ID:35555

Dilanyan, R A; Rybchenko, O G; Shekhtman, V Sh ^[1]

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1. Institute of Solid-State Physics, Moscow (Russian Federation)

A method is proposed to describe fullerene molecules C{sub n} with the aid of noncrystallographic icosahedral m{bar 3}{bar 5} and 235 groups. It is shown that the truncation of face forms of icosahedral symmetry by a pentagonal dodecahedron yields the C{sub 60}, C{sub 80}, and C{sub 140} polyhedra. For these clusters, the radii of the spheres circumscribing the polyhedra, the numerical values of the coordinates of the atoms forming these molecules, and the parameters of the face-centered crystal (fcc) lattices formed by special packing of spheres were calculated. The X-ray diffraction patterns of the fullerene compounds C{sub 60}, C{sub 80}, and C{sub 140} were simulated. 4 refs., 2 figs., 2 tabs.

• OSTI ID: 35555
• Journal Information: Crystallography Reports, Vol. 39, Issue 1; Other Information: PBD: Jan-Feb 1994; TN: Translated from Kristallografiya; 39: No. 1, 5-9(1994)
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
36 MATERIALS SCIENCE
FULLERENES
CRYSTAL STRUCTURE
SIMULATION