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The composite structure of mixed tau-(Ag, Cu)(x)V2O5 bronzes Evidence for T dependant guest-species ordering and mobility

Hermes, Wilfred ; Dolle, Mickael ; Rozier, Patrick and Lidin, Sven LU (2013) In Journal of Solid State Chemistry 199. p.84-89
Abstract
The complex structural behavior of tau-[AgCu](similar to 0.92)V4O10 has been elucidated by single crystal X-ray diffraction and thermal analysis. The tau-phase region is apparently composed of several distinct phases and this study identifies at least three: tau(1rt) tau(2rt) and tau(1t), tau(1rt) and tau(2rt) have slightly different compositions and crystal habits. Both phases transform to Tit at low temperature. The room temperature modification tau(1rt) crystallizes in an incommensurately modulated structure with monoclinic symmetry C2(0 beta 1/2) [equivalent to no 5.4, B2(01/2 gamma) in the Intnl. Tables for Crystallography, Volume C] and the cell parameters a=11.757(4) angstrom, b=3.6942(5) angstrom c = 9.463(2) beta=114.62(2)degrees... (More)
The complex structural behavior of tau-[AgCu](similar to 0.92)V4O10 has been elucidated by single crystal X-ray diffraction and thermal analysis. The tau-phase region is apparently composed of several distinct phases and this study identifies at least three: tau(1rt) tau(2rt) and tau(1t), tau(1rt) and tau(2rt) have slightly different compositions and crystal habits. Both phases transform to Tit at low temperature. The room temperature modification tau(1rt) crystallizes in an incommensurately modulated structure with monoclinic symmetry C2(0 beta 1/2) [equivalent to no 5.4, B2(01/2 gamma) in the Intnl. Tables for Crystallography, Volume C] and the cell parameters a=11.757(4) angstrom, b=3.6942(5) angstrom c = 9.463(2) beta=114.62(2)degrees and the q-vector (0 0.92 1/2), but it is more convenient to transform this to a setting with a non-standard centering X=(1/2 1/20 0; 0 0 1/2 1/2; 1/2 1/2 1/2 1/2;) and an axial q vector (00.92 0). The structure features a vanadate host lattice with Cu and Ag guests forming an incommensurate composite. The structural data indicates perfect Ag/Cu ordering. At low temperature this modification is replaced by a triclinic phase characterized by two independent q-vectors. The tau(2rt) phase is similar to the low temperature modification tau(lt) but the satellite reflections are generally more diffuse. (C) 2012 Elsevier Inc. All rights reserved. (Less)
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author
; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Cu, Modulated composite, Ag bronze, Ionic transport
in
Journal of Solid State Chemistry
volume
199
pages
84 - 89
publisher
Elsevier
external identifiers
  • wos:000315477500014
  • scopus:84871892636
ISSN
0022-4596
DOI
10.1016/j.jssc.2012.11.029
language
English
LU publication?
yes
id
e37748db-acf3-4c18-b44f-64e5935238b0 (old id 3670084)
date added to LUP
2016-04-01 13:58:40
date last changed
2022-03-21 21:32:28
@article{e37748db-acf3-4c18-b44f-64e5935238b0,
  abstract     = {{The complex structural behavior of tau-[AgCu](similar to 0.92)V4O10 has been elucidated by single crystal X-ray diffraction and thermal analysis. The tau-phase region is apparently composed of several distinct phases and this study identifies at least three: tau(1rt) tau(2rt) and tau(1t), tau(1rt) and tau(2rt) have slightly different compositions and crystal habits. Both phases transform to Tit at low temperature. The room temperature modification tau(1rt) crystallizes in an incommensurately modulated structure with monoclinic symmetry C2(0 beta 1/2) [equivalent to no 5.4, B2(01/2 gamma) in the Intnl. Tables for Crystallography, Volume C] and the cell parameters a=11.757(4) angstrom, b=3.6942(5) angstrom c = 9.463(2) beta=114.62(2)degrees and the q-vector (0 0.92 1/2), but it is more convenient to transform this to a setting with a non-standard centering X=(1/2 1/20 0; 0 0 1/2 1/2; 1/2 1/2 1/2 1/2;) and an axial q vector (00.92 0). The structure features a vanadate host lattice with Cu and Ag guests forming an incommensurate composite. The structural data indicates perfect Ag/Cu ordering. At low temperature this modification is replaced by a triclinic phase characterized by two independent q-vectors. The tau(2rt) phase is similar to the low temperature modification tau(lt) but the satellite reflections are generally more diffuse. (C) 2012 Elsevier Inc. All rights reserved.}},
  author       = {{Hermes, Wilfred and Dolle, Mickael and Rozier, Patrick and Lidin, Sven}},
  issn         = {{0022-4596}},
  keywords     = {{Cu; Modulated composite; Ag bronze; Ionic transport}},
  language     = {{eng}},
  pages        = {{84--89}},
  publisher    = {{Elsevier}},
  series       = {{Journal of Solid State Chemistry}},
  title        = {{The composite structure of mixed tau-(Ag, Cu)(x)V2O5 bronzes Evidence for T dependant guest-species ordering and mobility}},
  url          = {{http://dx.doi.org/10.1016/j.jssc.2012.11.029}},
  doi          = {{10.1016/j.jssc.2012.11.029}},
  volume       = {{199}},
  year         = {{2013}},
}