2005
DOI: 10.1016/j.solidstatesciences.2004.10.022
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Structural characterisation and physical properties of LiMMnO4 (M=Cr, Ti) spinels

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Cited by 48 publications
(34 citation statements)
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“…By comparison with results from the literature [12,13], the percentage of transition metal ions in the 8a site was found significantly smaller in the case of the present samples and the cubic unit-cell parameter is also smaller than in the literature for x ≥ 0.5. This could be due to the nature of the different reactants used for the solid state synthesis : carbonate, acetate and hydroxide salts used in the present study are more reactive than commercial oxides.…”
Section: Powder X-ray Diffractionsupporting
confidence: 57%
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“…By comparison with results from the literature [12,13], the percentage of transition metal ions in the 8a site was found significantly smaller in the case of the present samples and the cubic unit-cell parameter is also smaller than in the literature for x ≥ 0.5. This could be due to the nature of the different reactants used for the solid state synthesis : carbonate, acetate and hydroxide salts used in the present study are more reactive than commercial oxides.…”
Section: Powder X-ray Diffractionsupporting
confidence: 57%
“…Previous results of X-ray and neutron diffractions for LiMnTiO 4 by Arillo et al [11,12] had shown that manganese was exclusively on the 16d site, while titanium was distributed in both 16d and 8a sites. Therefore a first model was used where the Mn-content of the 16d site was fixed to its nominal value and where Li + against Ti 4+ were refined in the 8a and 16d sites.…”
Section: Powder X-ray Diffractionmentioning
confidence: 93%
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“…However, experimen- tal results indicate that in the case of M = Cr, Mn and Fe some transition metal ions are located in the tetrahedral sites. [15][16][17][18] Note that in the first part of this computational study we have not considered the degree of inversion. In view of the data in Tables 1 and 2, it can be concluded that, generally speaking, the calculation method allows a correct prediction of the cell parameters, with differences of around 2-4 % that are typical for state-of-the-art approximations to density functional theory in transition metal oxides.…”
Section: Computational Analysis Of the Litimo 4 (S) ↔ Litimo 4 (R) Trmentioning
confidence: 99%
“…On the other hand, for the samples obtained by quenching (Q), all the reflections can be indexed using the extinction laws of the space group Fd3m. [17,18] The resulting fits are shown in Figure 2 at 2 K (Figure 2, a) and 300 K (Figure 2, b). A summary of the structural parameters obtained in these refinements is given in Table 6 [a] N ϭ occupation.…”
Section: Structural Featuresmentioning
confidence: 99%