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X-ray powder reference patterns for magnetoplumbite-like compounds, (Ba x Sr1−x )Ti6Co6O19 (x = 0.2, 0.4, 0.6, 0.8)

  • W. Wong-Ng (a1), G. Liu (a2) and J. A. Kaduk (a3)


X-ray reference powder patterns and crystal structures have been determined for a series of titanium- and cobalt-containing layered alkaline-earth compounds with nominal formula (Ba x Sr1−x )Ti6Co6O19 (x = 0.2, 0.4, 0.6, 0.8). Structural isomorphism of the title compounds with the hexagonal ferrite BaFe12O19 and magnetoplumbite (PbFe12O19), was confirmed. The (Ba x Sr1−x )Ti6Co6O19 series crystallize in the space group of P63 /mmc (No. 194) and Z = 2. The lattice parameters range from a = 5.90729(6) Å, c = 23.2378(3) Å, and V = 702.27(2) Å3 for x = 0.2 to a = 5.914 93(9), c = 23.3391(5) Å, and V = 707.15(2) Å3 with x = 0.8. The structure consists of alternating spinel S-block and R-blocks. The tetrahedral sites within the spinel S-blocks are occupied with only Co2+, while Ti4+ is mainly located in the octahedral sites of the spinel S-blocks and in the face-sharing octahedral site of the R-blocks. A bipyramidal mixed Co/Ti site was confirmed in the R-block of the structure. Powder X-ray diffraction patterns of this series of compounds have been submitted to be included in the Powder Diffraction File.


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Brese, N. E. and O'Keeffe, M. (1991). “Bond-valence parameters for solids,” Acta Crystallogr. B 47, 192197.
Brown, I. D., and Altermatt, D. (1985). “Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database,” Acta Crystallogr., B 41, 244247.
Cabañas, M. V., González-Calbet, J. M., Rodríguez-Carvajal, J., and Vallet-Regí, M. (1994). “The solid solution BaFe12−2xCoxTixO19 (0 ≤ x ≤ 6): cationic distribution by neutron diffraction,” J. Solid State Chem., 111, 229237.
Finger, L. W., Cox, D. E., and Jephcoat, A. P. (1994). “A correction for powder diffraction peak asymmetry due to axial divergence,” J. Appl. Crystallogr., 27, 892900.
Graetsch, H. and Gebert, W. (1994). “Positional and thermal disorder in the trigonal bipyramid of magnetoplumbite structure type SrGa12O19 ,” Z. Kristallogr., 209, 338342.
Graetsch, H. and Gebert, W. (1995). “Cation distribution in magnetoplumbite type SrTi6Co6O19 ,” Z. Kristallogr., 210, 913.
Grebille, D., Lambert, S., Bouree, F., and Petricek, V. (2004). “Contribution of powder diffraction for structure refinements of aperiodic misfit cobalt oxides,” J. Appl. Crystallogr., 37, 823831.
Howard, C. J. (1982). “The approximation of asymmetric neutron powder diffraction peaks by sums of Gaussians,” J. Appl. Crystallogr., 15(6), 615620.
Hu, Y. F., Si, W. D., Sutter, E., and Li, Q. (2005). “ In situ growth of c-axis-oriented Ca3Co4O9 thin films on Si(100),” Appl. Phys. Lett., 86, 082103.
Iyi, N., Takekawa, S., and Kimura, S. (1990). “Refinement of the structure of lead hexaaluminate (PbAl12O19),” J. Solid State Chem., 85, 318320.
Kimura, K., Ohgaki, M., Tanaka, K., Morikawa, H., and Marumo, F. (1990). “Study of the bipyramidal site in magnetoplumbite-like compounds, SrM12O19 (M = Al, Fe, Ga),” J. Solid State Chem., 87, 186194.
Kojima, H. (1982) “Ferromagnetic materials,” in Ferromagnetic Materials: A Handbook on the Properties of Magnetically Ordered Substances, edited by Wohlfarth, E. P. (North-Holland, Amsterdam), Vol. 3, p. 305.
Larson, A. C. and Von Dreele, R. B. (2004). General Structure Analysis System (GSAS) (Report LAUR 86-748). Los Alamos, New Mexico: Los Alamos National Laboratory.
Masset, A. C., Michel, C., Maignan, A., Hervieu, M., Toulemonde, O., Studer, F., Raveau, B., and Hejtmanck, J. (2000). “Misfit-layered cobaltite with an anisotropic giant magnetoresistance: Ca3Co4O9 ,” Phys. Rev. B, 62, 166175.
Mikami, M., Funahashi, R., Yoshimura, M., Mori, Y., and Sasaki, T. (2003). “High-temperature thermoelectric properties of single-crystal Ca3Co2O6 ,” J. Appl. Phys., 94(10), 65796582.
Mikami, M. and Funahashi, R. (2005). “The effect of element substitution on high-temperature thermoelectric properties of Ca3Co2O6 compounds”, J. Solid State Chem., 178, 16701674.
Minami, H., Itaka, K., Kawaji, H., Wang, Q. J., Koinuma, H., and Lippmaa, M. (2002). “Rapid synthesis and characterization of (Ca1−xBax)3Co4O9 thin films using combinatorial methods,” Appl. Surface Sci., 197, 442447.
Momozawa, N., Yamaguchi, Y., Takei, H., and Mita, M. (1985). “Magnetic structure of (Ba1−xSrx)Zn2Fe12O22 (x = 0–1.0),” J. Phys. Soc. Japan, 54, 771780.
Obradors, X., Collomb, A., Pernet, M., Samaras, D., and Joubert, J. C. (1985). “X-ray analysis of the structural and dynamic proeprties of BaFe12O19 hexgonal ferrite at room temperature,” J. Solid State Chem., 56, 171181.
Obradors, X., Solans, X., Collomb, A., Samaras, D., Rodriguez, J., Pernet, M., and Font-Altaba, M. (1988). “Crystal structure of strontium hexaferrite SrFe12O19 ,” J. Solid State. Chem., 72, 218224.
PDF, Powder Diffraction File (2014). Produced by International Centre for Diffraction Data, (12 Campus Blvd., Newtown Square, Pennsylvania 19073-3273).
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Appl. Crystallogr., 2, 6571.
Shannon, R. D. (1976). “Revised effective ionic radii and systematic studies of interatomie distances in halides and chaleogenides,” Acta Crystallogr., A32, 751767.
Sizov, V. A., Sizov, R. A., and Yamzin, I. I. (1968). “A new type of spin ordering in the system of hexagonal Ba2−xSrxZn2Fe12O22(Y) ferrites,” Sov. Phys. – JETP, 26, 736.
Smit, J. and Wijn, H. P. J. (1959). Ferrites (Philips Technical Library, Eindhoven).
Stephens, P. W. (1999). “Phenomenological model of anisotropic peak broadening,” J. Appl. Crystallogr., 32, 281289.
Terasaki, I., Sasago, Y., and Uchinokura, K. (1997). “Large thermoelectric power in NaCo2O4 single crystals,” Phys. Rev. B, 56, 1268512687.
Thompson, P., Cox, D. E., and Hastings, J. B. (1987). “Rietveld refinement of Debye-Scherrer synchrotron X-ray data from Al2O3 ”, J. Appl. Crystallogr., 20, 7983.
Townes, W. D., Fang, J. H., and Perrotta, A. J. (1967). “The crystal structure and refinement of ferromagnetic barium ferrite, BaFe12O19 ,” Z. Kristallogr., 125, 437449.
Wang, S., Venimadhav, A., Guo, S., Chen, K., Li, Q., Soukiassian, A., Schlom, D. G., Katz, M. B., Pan, X. Q., Wong-Ng, W., Vaudin, M. D., and Xi, X. X. (2009). “Structural and thermoelectric properties of Bi2Sr2Co2Oy thin films on LaAlO3 (100) and fused silica substrates,” Appl. Phys. Lett., 94, 022110.
Wong-Ng, W., McMurdie, H. F., Paretzkin, B., and Zhang, Y., Davis, K. L., Hubbard, C. R., Dragoo, A. L., and Stewart, J. M. (1987). “Standard X-ray diffraction powder patterns of sixteen ceramic phases,” Powder Diffr., 2(3), 191202.
Wong-Ng, W., Hu, Y. F., Vaudin, M. D., He, B., Otani, M., Lowhorn, N. D., and Li, Q. (2007). “Texture and phase analysis of a Ca3Co4O9 thermoelectric film on Si (100) substrate,” J. Appl. Phys., 102(3), 33520.
Wong-Ng, W., Liu, G., Martin, J., Thomas, E. L., Lowhorn, N., and Kaduk, J. A. (2010). “Phase compatibility of the thermoelectric properties of compounds in the Sr-Ca-Co-O system,” J. Appl. Phys., 107, 033508.
Wong-Ng, W., Luo, T., Xie, W., Tang, W. H., Kaduk, J. A., Huang, Q., Yan, Y., Tang, X., and Tritt, T. (2011). “Phase diagram, crystal chemistry and thermoelectric properties of compounds in the Ca-Co-Zn-O system,” J. Solid State Chem., 184(8), 21592166.
Wong-Ng, W., Laws, W. J., and Yan, Y. G. (2013). “Phase diagram and crystal chemistry of the La-Ca-Co-O system,” Solid State Sci., 17, 107110.
Wong-Ng, W., Laws, W. J., Talley, K. R., Huang, Q., Yan, Y., Martin, J., and Kaduk, J. A. (2014). “Phase equilibria and crystal chemistry of the CaO-½Nd2O3-CoOz system at 885 °C in air,” J. Solid State Chem., 215, 128134.


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X-ray powder reference patterns for magnetoplumbite-like compounds, (Ba x Sr1−x )Ti6Co6O19 (x = 0.2, 0.4, 0.6, 0.8)

  • W. Wong-Ng (a1), G. Liu (a2) and J. A. Kaduk (a3)


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