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Title: Synthesis, crystal structure and mono-dimensional thallium ion conduction of TlFe{sub 0.22}Al{sub 0.78}As{sub 2}O{sub 7}

A new solid solution TlFe{sub 0.22}Al{sub 0.78}As{sub 2}O{sub 7} has been synthesized by a solid-state reaction. The structure of the title compound has been determined from a single-crystal X-ray diffraction and refined to final values of the reliability factors: R(F {sup 2})=0.030 and wR(F {sup 2})=0.081 for 1343 independent reflections with I>2{sigma}(I). It crystallizes in the triclinic space group P-1, with a=6.296(2) A, b=6.397(2) A, c=8.242(2) A, {alpha}=96.74(2){sup o}, {beta}=103.78(2){sup o}, {gamma}=102.99(3){sup o}, V=309.0(2) A{sup 3} and Z=2. The structure can be described as a three-dimensional framework containing (Fe/Al)O{sub 6} octahedra connected through As{sub 2}O{sub 7} groups. The metallic units and diarsenate groups share oxygen corners to form a three-dimensional framework with interconnected tunnels parallel to the a, b and c directions, where Tl{sup +} cations are located. The ionic conductivity measurements are performed on pellets of the polycrystalline powder. At 683 K, The conductivity value is 5.23x10{sup -6} S cm{sup -1} and the ionic jump activation energy is 0.656 eV. The bond valence analysis reveals that the ionic conductivity is ensured by Tl{sup +} along the [001] direction. - Graphical abstract: Optimized trajectory for Tl(1)-Tl(2) jump.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [1] ;  [1]
  1. Laboratoire de Materiaux et Cristallochimie, Faculte des Sciences, El Manar, 2092 Tunis (Tunisia)
  2. Laboratoire de Materiaux et Cristallochimie, Faculte des Sciences, El Manar, 2092 Tunis (Tunisia), E-mail: abderrahman.guesmi@ipeim.rnu.tn
  3. Dipartimento di Scienza dei Materiali e Ingegneria Chimica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Turin (Italy)
  4. Laboratoire de Physique des Materiaux, Faculte des Sciences de Bizerte, 7021 Bizerte (Tunisia)
Publication Date:
OSTI Identifier:
21015768
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 180; Journal Issue: 4; Other Information: DOI: 10.1016/j.jssc.2007.01.018; PII: S0022-4596(07)00038-2; Copyright (c) 2007 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTROSCOPY; ACTIVATION ENERGY; INFRARED SPECTRA; IONIC CONDUCTIVITY; MILLI EV RANGE; MONOCRYSTALS; POLYCRYSTALS; SOLID SOLUTIONS; SPACE GROUPS; SYNTHESIS; TEMPERATURE RANGE 0400-1000 K; THALLIUM IONS; TRICLINIC LATTICES; X-RAY DIFFRACTION