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Calculation of the intensity distribution for one-dimensionally disordered LixV2O5 II : The disordered phase of ε′-Li0.620(3)V2O5 at 20 K1

Title data

Katzke, Hannelore ; Kato, K. ; Dinnebier, Robert E.:
Calculation of the intensity distribution for one-dimensionally disordered LixV2O5 II : The disordered phase of ε′-Li0.620(3)V2O5 at 20 K1.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 214 (1999) Issue 7 . - pp. 398-401.
ISSN 2196-7105
DOI: https://doi.org/10.1524/zkri.1999.214.7.398

Abstract in another language

A structural analysis is performed for the highly disordered monoclinic structure of the ferroelastic low-temperature phase of ε′-Li0.620(3)V2O5 by fitting a calculated intensity curve to the observed X-ray powder diffraction pattern. The one-dimensional disorder can be described in terms of a 3-layers disorder model of Reichweite s = 1, in which a random disorder of monoclinic and orthorhombic layers stacked along [001] is assumed. The monoclinic layers are characterized by a unit layer thickness and translations of +Δy and −Δy parallel to [010], respectively, while the orthorhombic layer is characterized by a layer thickness 1 + Δd and no translation parallel to [010]. The diffraction intensity is calculated after Kakinoki and Komura, taking into account a probability matrix for the occurrence of the different layer types. The best fit to the observed Synchrotron X-ray powder pattern is obtained assuming a coexistence of monoclinic and orthorhombic domains within one crystal in a volume ratio of 90:10.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 06 Apr 2016 07:01
Last Modified: 31 Jan 2018 13:11
URI: https://eref.uni-bayreuth.de/id/eprint/32114