A study of orientational disorder in ND4Cl by the reverse Monte Carlo method

Citation
Av. Belushkin et al., A study of orientational disorder in ND4Cl by the reverse Monte Carlo method, PHYSICA B, 269(3-4), 1999, pp. 297-303
Citations number
16
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA B
ISSN journal
09214526 → ACNP
Volume
269
Issue
3-4
Year of publication
1999
Pages
297 - 303
Database
ISI
SICI code
0921-4526(199909)269:3-4<297:ASOODI>2.0.ZU;2-#
Abstract
The total structure factor for deuterated ammonium chloride measured by neu tron diffraction has been modeled using the reverse Monte Carlo method. The results show that the orientational disorder of the ammonium ions consists of a local librational motion with an average angular amplitude alpha = 17 degrees and reorientations of ammonium ions by 90 degrees jumps around two -fold axes. Reorientations around three-fold axes have a very low probabili ty. (C) 1999 Elsevier Science B.V. All rights reserved.