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- Lahrich, S., et al.
(författare)
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Elaboration, Rietveld refinements and vibrational spectroscopic study of Na1-xKxCaPb3(PO4)3 lacunar apatites (0 < x < 1)
- 2015
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Ingår i: Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy. - : Elsevier BV. - 1386-1425 .- 1873-3557. ; 145, s. 493-499
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Tidskriftsartikel (refereegranskat)abstract
- Synthesis of apatites, Na1-xKxCaPb3(PO4)(3) 0 <= x <= 1, with anion vacancy were carried out using solid state reactions. The solid solution of apatite-type structure crystallize in the hexagonal system, space group P6(3)/m (No. 176). Rietveld refinements showed that around 90% of Pb2+ cations are located in the (6h) sites, the left amount of Pb2+ cations are located in the (4f) sites; 27-31% of Ca2+ cations are located in the (6h) sites, the left amount of Ca2+ cations are located in the (4f) sites. The ninefold coordination sites (4f) are also occupied by the K+ and Na+ monovalent ions. The structure can be described as built up from [PO4](3-) tetrahedra and Pb2+/Ca2+ of sixfold coordination cavities (6h positions), which delimit void hexagonal tunnels running along [001]. These tunnels are connected by cations of mixed sites (4f) which are half occupied by Pb2+/Ca2+ and half by Na+/K+ mixed cations. The assignment of the observed frequencies in the Raman and infrared spectra is discussed on the basis of a unit cell group analysis and by comparison with other apatites. Vibrational spectra of all the compositions are similar and show some linear shifts of the frequencies as a function of the composition toward lower values due the substitutions of Na+ by K+ with a larger radius.
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- Mirinioui, F., et al.
(författare)
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Sequence of phase transitions induced by chemical composition and high temperature in [Ba2CaWO6]((1-x))[Sr2CaWO6](x) double perovskite tungsten oxides
- 2015
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Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 232, s. 182-192
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Tidskriftsartikel (refereegranskat)abstract
- [Ba2CaWO6](1-x)[Sr2CaWO6](x) (0 <= x <= 1) materials were synthesized by the high temperature solid state reaction and firing methods, and characterized using techniques of X-ray diffraction and Raman spectroscopy. The crystal structures were determined by Rietveld refinements on the laboratory X-ray powder diffraction data. As a function of composition, upon increasing the strontium content, the samples exhibit a sequence of three phase transitions: from cubic (Fm (3) over barm) to tetragonal (I4/m) to monoclinic structural phases (I2/m, P2(1)/n). These transitions have been confirmed by Raman studies Fm (3) over barm(x=0) -> I4/m(0.1 <= x <= 0.2) -> I2/m(0.3 <= x <= 0.5) -> P2(1)/n(0.6 <= x <= 1) Furthermore, increasing the temperature for the compositions [Ba2CaWO6](1-x)[Sr2CaWO6](x) (0.1 <= x < 1), manifests the P2(1)/n to I2/m, the I2/m to I4/m and the I4/m to Fm<(3)over bar>m phase transitions. For the compositions (0.1 <= x <= 0.2) the tetragonal to cubic phase transition is well illustrated. For the room temperature I2/m monoclinic compositions, two phase transitions were observed for all the compositions with x ranging from 0.3 to 0.5: from the monoclinic (I2/m) to tetragonal (I4/m), and from I4/m to Fm (3) over barm structures. Finally, for the room temperature P2(1)/n monoclinic compositions, only two phase transitions are observed in the temperature range probed by Raman spectroscopy, the temperature was not high enough to reach the tetragonal-to-cubic phase transition.
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