ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The structures of glassy 7LiX–KX–CsX–BaX2 (X=Cl, Br, and I) have been investigated by means of pulsed neutron diffraction experiment. The obtained total radial distribution functions were discussed with the help of the molecular dynamics simulation based on the Tosi–Fumi potential. The Li–X (X=Cl, Br, and I) distances in the three glasses are 2.37, 2.49, and 2.70 A(ring), respectively, which are 0.2–0.3 A(ring) shorter than those in the rocksalt-type LiX crystals. For each system, it is found that the coordination number of the X− ions around the Li+ ions is about four when only the closely contacting X− ions are counted. Because of the 1:1 monovalent character of the present systems, the first coordination shell around the Li+ ions has the ill-defined outer extent, compared with the 4:2 and 2:1 charged systems such as SiO2 and ZnCl2. This causes the increase of the coordination number, from four to six, when all the near-neighbor X− ions are counted as the surrounding ions.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.465978
