Orientational disorder of C60 in Li2CsC60

Ichiro Hirosawa, Kosmas Prassides, Junichiro Mizuki, Katsumi Tanigaki, Matthew Gevaert, Alexandros Lappas, Jeremy K. Cockcroft

Research output: Contribution to journalArticlepeer-review

37 Citations (Scopus)


The x-ray diffraction of the nonsuperconducting ternary fulleride Li 2CsC60 reveals at room temperature a face-centered-cubic (Fm3m) disordered structure that persists to a temperature of 13 Kelvin. The crystal structure is best modeled as containing quasispherical [radius of 3.556(4) angstroms] C603- ions, in sharp contrast to their orientational state in superconducting face-centered-cubic K3C 60 (merohedral disorder) and primitive cubic Na2CsC 60 (orientational order). The orientational disorder of the carbon atoms on the C603- sphere was analyzed with symmetry-adapted spherical-harmonic functions. Excess atomic density is evident in the (111) directions, indicating strong bonding Li+-C interactions, not encountered before in any of the superconducting alkali fullerides. The intercalate-carbon interactions and the orientational state of the fullerenes have evidently affected the superconducting pair-binding mechanism in this material.

Original languageEnglish
Pages (from-to)1294-1297
Number of pages4
Issue number5163
Publication statusPublished - 1994 Jan 1

ASJC Scopus subject areas

  • General


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