Abstract
Rare-earth molybdate glasses have been prepared by rapid quench technique, the network structure was investigated by neutron and high-energy X-ray diffraction. For data evaluation the reverse Monte Carlo simulation technique was applied to obtain a possible 3dimensional network configuration, which is consistent with the experimental data. From the modelling the partial atomic correlation functions giJ(r) and the coordination number distributions CNij have been revealed. Formation of MoO4 (55%) and MoO6 (25%) units was established for the binary 90MoO3-10Nd2O3 glass. The B-O first neighbour distribution show a relatively broad first neighbour distance at 1.40A, the average coordination numbers show the presents of trigonal BO3 and tetrahedral BO4 groups. For 50MoO3-25Nd2O3-25B2O3 sample mixed MoO4-BO4 and MoO4-BO3 linkages form pronounced intermediate-range order.
Highlights
Rare-earth molybdate phases are known to exhibit a great variety of important physical properties including high ion and electron conductivity of fast oxide ion conductors derived from the parent oxide La2Mo2O9 (LAMOX family [1,2], non-linear optical response and luminescent properties (Sm2(MoO4)3, LiLn(MoO4)2, Ln=Nd, Pr, Ho), e.g. [3]
We have investigated the possibility of a mixed network, containing both MoO4 and MoO6 units, by reverse Monte Carlo (RMC) simulation
If we suppose that MoO4 units to the crystalline LaBMoO6 [24], Nd2O3-MoO3 [5] and usually this is the case for molybdate crystals
Summary
Rare-earth molybdate phases are known to exhibit a great variety of important physical properties including high ion and electron conductivity of fast oxide ion conductors derived from the parent oxide La2Mo2O9 (LAMOX family [1,2], non-linear optical response and luminescent properties (Sm2(MoO4), LiLn(MoO4), Ln=Nd, Pr, Ho), e.g. [3]. Rare-earth molybdate phases are known to exhibit a great variety of important physical properties including high ion and electron conductivity of fast oxide ion conductors derived from the parent oxide La2Mo2O9 (LAMOX family [1,2], non-linear optical response and luminescent properties (Sm2(MoO4), LiLn(MoO4), Ln=Nd, Pr, Ho), e.g. [4,5,6,7], the preparation and structural information on amorphous molybdate systems is not ample. The main problems of the preparation of molybdate glasses without modifier ions or participation of classical network formers are connected with the high crystallization tendency of the components. The group of Dimitriev [8,9,10] has undertaken a systematic study to clear up the tendency for glass formation and immiscibility in the molybdate systems containing rare-earth oxides and in the complex mixed boromolybdate glasses. The phase diagram for several ternary oxides, MoO3Nd(La)2O3-B2O3 was set up [9] and the basic structural and optical characteristics were investigated by XRD, DTA, SEM, UV-VS spectra and IR spectroscopy [10]
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