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Open Access. Powered by Scholars. Published by Universities.®

1993

Chemistry

X-ray diffraction

Articles 1 - 2 of 2

Full-Text Articles in Physics

Orientational Phase Transition In Na_{X}C_{60} (1, T. Yildirim, J. E. Fischer, A. B. Harris, Peter W. Stephens, Dengfa Liu, Laurent Brard, Robert M. Strongin, Amos B. Smith Iii Aug 1993

Orientational Phase Transition In Na_{X}C_{60} (1, T. Yildirim, J. E. Fischer, A. B. Harris, Peter W. Stephens, Dengfa Liu, Laurent Brard, Robert M. Strongin, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

X-ray diffraction and calorimetry data on cubic NaxC60(1<x60, e.g., Tm(x=1.3)=325 K. The ordered phases are the same as in pure C60: simple cubic, space group Pa3¯, but the orientations in the disordered phase are more restricted. We explain how Na stabilizes the ordered phase to rather high T, while K and Rb do not, in terms of Coulomb interactions between C60 molecules and and Na ions which we calculate from the local charge density of C60.


Unusual Thermal Stability Of A Site-Ordered Mc60 Rocksalt Structure (M=K, Rb, Or Cs), Q. Zhu, O. Zhou, J. E. Fischer, Andrew R. Mcghie, W. R. Romanow, Robert M. Strongin, M. A. Cichy, Amos B. Smith Iii May 1993

Unusual Thermal Stability Of A Site-Ordered Mc60 Rocksalt Structure (M=K, Rb, Or Cs), Q. Zhu, O. Zhou, J. E. Fischer, Andrew R. Mcghie, W. R. Romanow, Robert M. Strongin, M. A. Cichy, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

X-ray diffraction and differential scanning calorimetry of MxC60, with x∼1 and M=K, Rb, or Cs, reveal an unusual T-dependent phase sequence. A low-symmetry ground state is found, while the high-T limit is an ordered rocksalt structure in which only the octahedral sites are occupied. The unusual high-T stability of this ordered phase is attributed to the entropy of molecular orientational disorder and/or thermal disorder of the alkali-metal ions within the octahedral sites. Unique to KxC60 with x≥1.4, we find at intermediate temperatures an fcc site-disordered lattice gas …