Cover Image

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.

Full Text:



- W.E. Pickett and D.J. Singh, Electronic structure and half-metallic transport in the La1-xCaxMnO3 system, Phys. Rev. B, 1996, 53, 1146.

- K.I. Kobayashi, T Kimura., H. Sawada,

K. Terakura and Y. Tokura, Room-temperature magnetoresistance in an oxide material with an ordered double-perovskite structure, Nature, 1998, 395, 677-680.

- R.J. Cava, B. Batlogg, J.J. Krajewski, R. Farrow, L.W. Rupp, A.E. White, K. Short, W.F. Peck and T. Kometani, Superconductivity near 30 K without copper: The Ba0.6K0.4BiO3 perovskite, Nature, 1988, 332, 814 816.

- J.B. Goodenough, J.M. Longo, in Landolt-BVrnstein. Numerical Data and Functional Relationships in Science and Technology, New Series, Group III: Crystal and Solid State Physics. Vol. 4: Magnetic and Other Properties of Oxides and Related Compounds, Part a, Springer, Berlin, 1970, p. 126.

- P.D. Battle, T.C. Gibb, C.W. Jones and F. Studer, The crystal and magnetic structures of Ca2NdRuO6, Ca2HoRuO6, and Sr2ErRuO6, J. Solid State Chem., 1989, 78,281-293.

- C.R. Wiebe, J.E. Greedan, P.P. Kyriakou, G.M. Luke, J.S. Gardner, A. Fukaya, I.M. Gat-Malureanu, P.L. Russo, A.T. Savici and Y.J. Uemura, Frustration-driven spin freezing in the S=12 fcc perovskite Sr2MgReO6 , Phys. Rev. B, 2003, 68, 134410.

- M.T. Anderson, K, B greenwood, G A. Taylor and K.R. Poeppelmeier, Prog. B-cation arrangements in double perovskites, J. Solid State Chem., 1993, 22, 197-233.

- M. R. Palacin, J. Bassas, J. Rodriguez-Carvajal and P. Gomez-Romero, Syntheses of the Perovskite La2CuTiO6 by the Ceramic, Oxide Precursors and Sol-Gel methods. Study of the structure and the Cu-Ti Distribution by X-Ray and Neutron Diffraction, J. Mater. Chem., 1993, 3(1l), 1171-1177.

- R. Ubic, Y. Hu and I. Abrahams, Neutron and electron diffraction studies of La(Zn1/2Ti1/2)O3 perovskite, Acta Crystallogr. B, 2006, 62,


- M. Avdeev, M. P. Seabra and V. M. Ferreira, Crystal Structure of Dielectric Ceramics in the La(Mg0.5Ti0.5)O3 BaTiO3 System, J. Mater. Res., 2002, 17, 1112-1117.

- W. A. Groen, F. P. F. Van Berkel and D. J. W. Ijdo, Dineodymium magnesium titanate (IV). A Rietveld refinement of neutron Powder diffraction data, Acta Crystallogr .C, 1986, 42, 1472-1475.

- M. Azuma, S. Kaimori and M. Takano, High-Pressure Synthesis and Magnetic Properties of Layered Double Perovskites Ln2CuMO6 (Ln = La, Pr, Nd, and Sm; M = Sn and Zr), J. Chem. Mater, 1998, 10, 3124-3130.

- Anderson M. T and Poeppelmeier K. R., Lanthanum copper tin oxide (La2CuSnO6): a new perovskite-related compound with an unusual arrangement of B cations, Chem. Mater., 1991, 3, 476-482.

- C. Sakai, Y. Doi and Y. Hinatsu, Crystal structures and magnetic properties of double perovskite compounds Ca 2LnRuO 6 (Ln = Y, La-Lu), J. Alloy Compd., 2006, 408, 608-612

- X. Yin, Y. Wang, F. Huang, Y. Xia, D. Wan and J. Yao, Excellent red phosphors of double perovskite Ca2LaMO6: Eu (M= Sb, Nb, Ta) with distorted coordination environment, J. Solid State Chem., 2011, 184, 3324-3328.

- A. Faik, I. Urcelay, E. Iturbe-Zabalo and J. M. Igartua, Cationic ordering and role of the A-site cation on the structure of the new double perovskites Ca2-xSrxRSbO6 R=La, Sm and (x=0,0.5,1), J. Mol. Struct., 2010, 977, 137 144.

- S. Halder, Md. Sariful Sheikh, B. Ghosh and T.P. Sinha, Octahedral distortion induced phonon vibration and electrical conduction in A 2NdSbO6 (A = Ba, Sr, Ca), J. Mater. Chem. Phys., 2017, 199, 508-521.

- A. Aatiq, Synthesis and crystal structure of the new perovskite CaLa 2CaTi 2O 9 (= (Ca 1/3La 2/3)A(Ca 1/3Ti 2/3)BO 3), Solid State Sci. , 2003, 5, 745-749.

- A. Aatiq and A. Boukhari, Synthesis and structural study of the new perovskite series CaLn2ZnTi2O9 (= (Ca1/3Ln2/3)A(Zn1/3Ti2/3)BO3) (Ln=La, Pr, Nd, Eu), Mater. Lett., 2004, 58, 2406-2411.

- E. Iturbe-Zabalo, J.M. Igartua, A. Aatiq, and V. Pomjakushin, A structural study of the CaLn2CuTi2O9 (Ln = Pr, Nd, Sm) and BaLn2CuTi2O9 (Ln =La, Pr, Nd) triple perovskite series, J. Mol. Struct., 2013, 1034, 134-143.

- J. Rodriguez-Carvajal, Recent advances in magnetic structure determination by neutron powder diffraction, Physica B: Condensed Matter., 1993, 192, 55-69.

- S. Geller, Crystal Structure of Gadolinium Orthoferrite GdFeO3, J. Chem. Phys., 1956, 24, 1236 1239.

- I. Levin, L.A. Bendersky, J.P. Cline, R.S. Roth and T.A. Vanderah, Octahedral Tilting and Cation Ordering in Perovskite-Like Ca4Nb2O9=3-Ca(Ca1/3Nb2/3)O3 Polymorphs, J. Solid State Chem., 2000, 150, 43-61.

- I. Levin, J.Y. Chan, R.G. Geyer, J.E. Maslar and T.A. Vanderah, Cation Ordering Types and Dielectric Properties in the Complex Perovskite Ca(Ca 1/3Nb 2/3)O 3, J. Solid State Chem. , (2001), 156 ,122-134.

- R.D. Shannon Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides, Acta Crystallogr. A, 1976, 32,751-767.

- V. M. Goldschmidt, Die Gesetze der Krystallochemie, J. Die Naturwissenschaften., 1926, 14, 477-485.

- I.D. Brown and D. Altermatt, Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database , Acta Crystallogr. B, 1985, 41, 244-247.

- P.W.Barnes, M. W. Lufaso and P. M. Woodward, Structure determination of A2M3+TaO6 and A2M3+NbO6 ordered perovskites: octahedral tilting and pseudo symmetry , Acta Crystallogr. B, 2006, 62, 384 396.

- P. Woodward, R.D. Hoffmann and A.W. Sleight, Order-disorder in A2M3+M5+O6 Perovskites, J. Mater. Res., 1994, 9, 2118 2127.


Copyright (c) 2019 Mediterranean Journal of Chemistry