Citation
Dp. Kozlenko et al., A study of orientational disorder in NaCl-type phase I of ND4I by reverse Monte Carlo and maximum entropy methods, PHYSICA B, 299(1-2), 2001, pp. 46-55
Citations number
28
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA B
ISSN journal
09214526
→ ACNP
Volume
299
Issue
1-2
Year of publication
2001
Pages
46 - 55
Database
ISI
SICI code
0921-4526(200105)299:1-2<46:ASOODI>2.0.ZU;2-P
Abstract
Structure and orientational disorder of ammonium ions in the high-temperatu
re phase I of ND4I were studied by reverse Monte Carlo and maximum entropy
methods using powder neutron diffraction data. The ammonium ions were found
to perform a librational motion with an average angular libration amplitud
e of gamma = 20 degrees and reorientational motion by 39 degrees jumps of t
he N-D bonds between (x x x) and (x x z) positions in the structure. Reorie
ntations by 90 degrees jumps were found to have a low probability. (C) 2001
Elsevier Science B.V. All rights reserved.