Cationic distribution in the new Nd2CaSnO6 perovskite type phase


  • Noureddine Boudar university hassan II
  • Abderrahim Aatiq university hassan II
  • Hajar Bellefqih university hassan II
  • Asmaa Marchoud university hassan II
  • Bouchaib Manoun University Hassan I, Faculty of Science and Technology of Settat
  • Brahim Orayech CIC EnergiGune, Power Storage; Batteries and Supercaps



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.

Author Biographies

Noureddine Boudar, university hassan II

 department  of  chemistry Laboratory of Physical-Chemistry of Applied Materials PhD student

Abderrahim Aatiq, university hassan II

department  of  chemistry Laboratory of Physical-Chemistry of Applied Materialsteacher researcher

Hajar Bellefqih, university hassan II

 department  of  chemistry Laboratory of Physical-Chemistry of Applied MaterialsPhD student

Asmaa Marchoud, university hassan II

 department  of  chemistry Laboratory of Physical-Chemistry of Applied MaterialsPhD student

Bouchaib Manoun, University Hassan I, Faculty of Science and Technology of Settat

Laboratory of Materials Scienceteacher researcher


- 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.





Inorganic Chemistry