The mixed valent tellurate SrTe3O8: Electronic lone pair effect of Te |
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| Authors: | N Barrier S Malo M Hervieu |
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| Institution: | a Laboratoire CRISMAT, UMR 6508 CNRS Ensicaen, 6 bd Maréchal Juin, 14050 Caen Cedex 4, France
b UMR 6226 CNRS-Université de Rennes 1 Sciences Chimiques de Rennes, Equipe Matériaux inorganiques: chimie douce et réactivité, Bât. 10B, campus de Beaulieu, 263, avenue du Général Leclerc, F-35042 Rennes, France |
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| Abstract: | A novel mixed valent tellurium oxide, SrTe3O8, has been synthesized and its crystal structure was determined ab initio from powder X-ray diffraction data. This oxide, which crystallizes in a tetragonal unit-cell, P42/m space group, with very close a and c cell parameters (6.8257(1) and 6.7603(1) Å, respectively), exhibits a very original structure built up of corner-sharing TeO6 (Te6+) octahedra and Te2O8 (Te4+) twin-pyramidal units. The latter ones form Te3O8]∞ chains running along the 001] and the 110] directions. Besides the four sided tunnels where the Sr2+ cations are located, there are very large four sided tunnels running along the c-axis which are obstructed by the electronic lone pairs of the Te4+ cations. |
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| Keywords: | Mixed valent tellurium oxide Synthesis Tunnel structure Electron microscopy X-ray powder diffraction Ab initio structure determination Rietveld refinement Electronic lone pairs |
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