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Article Dans Une Revue Crystal Growth & Design Année : 2019

Ab Initio Structure Determination of La 34 Mo 8 O 75 Using Powder X-ray and Neutron Diffraction Data

Résumé

We report the synthesis, the structure determination, and the structure analysis of La34Mo8O75, which comprises 68 mol % La2O3 in the binary system La2O3−MoO3, in place of the previously reported compound La4MoO9, 66.7 mol % La2O3. This latter compound, which was reported in the literature without any structural information, is presented in this Article as part of the exploration of the La2O3−Nb2O5−MoO3 ternary phase diagram. Several diffraction techniques were used for the structural resolution of this compound such as powder X-ray and neutron diffraction as well as transmission electron microscopy in diffraction mode. La34Mo8O75 crystallizes in the monoclinic space group C2/m with the cell parameters: a = 17.070 Å, b = 12.204 Å, c = 9.742 Å, β = 109.58°. The structure, related to fluorite, can be described as an anion-deficient fluorite with the global formula La34Mo8O75□9. The oxygen conduction of the compound was also investigated by means of complex impedance spectroscopy.
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Dates et versions

hal-02454715 , version 1 (24-01-2020)

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T. Dan Vu, Firas Krichen, Maud Barré, Sandrine Coste, Alain Jouanneaux, et al.. Ab Initio Structure Determination of La 34 Mo 8 O 75 Using Powder X-ray and Neutron Diffraction Data. Crystal Growth & Design, 2019, 19 (11), pp.6074-6081. ⟨10.1021/acs.cgd.8b01552⟩. ⟨hal-02454715⟩
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