THE STRUCTURE OF MOLTEN CUBR

Citation
L. Pusztai et Rl. Mcgreevy, THE STRUCTURE OF MOLTEN CUBR, Journal of physics. Condensed matter, 10(3), 1998, pp. 525-532
Citations number
26
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
09538984
Volume
10
Issue
3
Year of publication
1998
Pages
525 - 532
Database
ISI
SICI code
0953-8984(1998)10:3<525:>2.0.ZU;2-S
Abstract
Reverse Monte Carlo modelling of isotopic substitution neutron diffrac tion data for molten CuBr (D Allen and R A Howe 1992 J. Phys.: Condens . Matter 4 6029) is used to show that a flat partial radial distributi on function g(CuCu)(r) is a possible numerical solution, but not a pos sible physical solution. The best model derived is a close-packed liqu id of Br- ions within which Cu+ ions occupy approximately tetrahedral interstices. This structure is a natural continuation of trends as a f unction of temperature within the crystalline gamma-phase and the fast -ion-conducting beta- and alpha-phases.