Ionic diffusion mastering using crystal-chemistry parameters: tau-Cu{sub 1/2}Ag{sub 1/2}V{sub 2}O{sub 5} structure determination and comparison with refined delta-Ag{sub x}V{sub 2}O{sub 5} and epsilon-Cu{sub x}V{sub 2}O{sub 5} ones

Journal Article · Mon Jun 15 00:00:00 EDT 2009 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2009.03.017· OSTI ID:21370439

Rozier, P ^[1]; Dolle, M; Galy, J ^[1]

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1. Centre d'Elaboration de Materiaux et d'Etudes Structurales-CNRS 29, rue Jeanne Marvig, BP 94347, 31055 Toulouse cedex 4 (France)

tau-Ag{sub 1/2}Cu{sub 1/2}V{sub 2}O{sub 5} compound crystallises in the monoclinic system space group C2/m with cell parameters a=11.757(4) A, b=3.6942(5) A, c=9.463(2) A, and beta=114.62(2){sup o}. The structure is build up with V{sub 4}O{sub 10} D4 double layer. The silver and copper ions are located in two different oxygenated tunnels. Examination of electronic density maps shows that while the silver ions are located in defined crystallographic sites, the copper ones are fully delocalised over the whole tunnel. Comparison with delta-Ag{sub x}V{sub 2}O{sub 5} and epsilon-Cu{sub x}V{sub 2}O{sub 5} refined structure allows to define crystal chemistry parameters governing the ionic delocalisation and give clues to predict from structural consideration the expected electrical behaviour with the aim to make possible a structural design to enhance guest species reactivity. - Graphical abstract: The role of nature and amount of guest species on their respective localisation Evidence for full delocalisation of copper ions and diffusion pathways visualisation Display Omitted

• OSTI ID: 21370439
• Journal Information: Journal of Solid State Chemistry, Vol. 182, Issue 6; Other Information: DOI: 10.1016/j.jssc.2009.03.017; PII: S0022-4596(09)00123-6; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
COMPARATIVE EVALUATIONS
COPPER COMPOUNDS
COPPER IONS
CRYSTALLOGRAPHY
DIFFUSION
MONOCLINIC LATTICES
SILVER COMPOUNDS
SILVER IONS
SPACE GROUPS
VANADIUM OXIDES
CHALCOGENIDES
CHARGED PARTICLES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
EVALUATION
IONS
OXIDES
OXYGEN COMPOUNDS
SYMMETRY GROUPS
TRANSITION ELEMENT COMPOUNDS
VANADIUM COMPOUNDS