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Cationic distribution in the new Nd2CaSnO6 perovskite type phase

Noureddine Boudar, Abderrahim Aatiq, Hajar Bellefqih, Asmaa Marchoud, Bouchaib Manoun, Brahim Orayech


The new Nd2CaSnO6 double perovskite oxide has been synthesized in polycrystalline form by a conventional solid-state reactions process at 1300°C in air atmosphere. Structure refinement, realized by Rietveld analysis using the X-ray powder diffraction (XRD) data, shows that the compound crystallizes in monoclinic symmetry with P21/n space group and Z = 2. Obtained unit-cell parameters are: a = 5.6585(1) Å, b = 5.9254(1) Å, c = 8.1883(2) Å,  = 90.116(1) ° and V = 274.5(1) Å3 . The cationic distribution over the A- and B-sites of this perovskite structure can be illustrated by the [Nd1.90Ca0.10]A[Nd0.10Ca0.90]B’[Sn1.00]B’’O6 crystallographic formula. The monoclinic structural distortion involves long-range ordering between Sn4+ (in 2c site) and a random mixture (0.90Ca2+; 0.10Nd3+) (in 2d site) all at the B-perovskite sites.

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