Skip to main content Accessibility help
×
Home

Synchrotron X-ray diffraction study of double perovskites Sr2RNbO6 (R = Sm, Gd, Dy, Ho, Y, Tm, and Lu)

  • W. Wong-Ng (a1), J. A. Kaduk (a2), S. H. Lapidus (a3), L. Ribaud (a3) and S. P. Diwanji (a1)...

Abstract

A series of double-perovskite oxides, Sr2RNbO6 (R = Sm, Gd, Dy, Ho, Y, Tm, and Lu) were prepared and their crystal structure and powder diffraction reference patterns were determined using the Rietveld analysis technique. The crystal structure of each of the Sr2RNbO6 phase is reported in this paper. The R = Gd, Ho, and Lu samples were studied using synchrotron radiation, while R = Sm, Dy, Y, and Tm samples were studied using laboratory X-ray diffraction. Members of Sr2RNbO6 are monoclinic with a space group of P21/n and are isostructural with each other. Following the trend of “lanthanide contraction”, from R = Sm to Lu, the lattice parameters “a” of these compounds decreases from 5.84672(10) to 5.78100(3) Å, b from 5.93192(13) to 5.80977(3) Å, c from 8.3142(2) to 8.18957(5) Å, and V decreases from 288.355(11) to 275.057(2) Å3. In this double-perovskite series, the R3+ and Nb5+ ions are structurally ordered. The average Nb–O bond length is nearly constant, while the average R–O bond length decreases with the decreasing ionic radius of R3+. Powder diffraction patterns for these compounds have been submitted to the Powder Diffraction File (PDF).

Copyright

Corresponding author

a)Author to whom correspondence should be addressed. Electronic mail: winnie.wong-ng@nist.gov

References

Hide All
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.
Chan, J. C., Bock, J. A., Guo, H., Trolier-McKinstry, S., and Randall, C. A. (2017). “High-temperature thermoelectric characterization of filled strontium barium niobates: power factors and carrier concentrations,” Mater. Res. 32, 11601167.
Dalesio, L. R., Hill, J. O., Kraimer, M., Lewis, S., Murray, D., Hunt, S., Watson, W., Clausen, M., and Dalesio, J. (1994). “Nuclear instruments & methods in physics research section A – accelerators spectrometers detectors and associated equipment,” 352, 179184.
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.
Henmi, K. and Hinatsu, Y. (1999). “Crystal structures and magnetic properties of ordered perovskites Ba2LnNbO6 (Ln = Lanthanide elements),” J. Solid State Chem. 148, 353360.
Huang, Z., Yan, D., Tien, T., and Chen, I. (1991). “Phase relationships in the La2O3-SrO-Nb2O5 system,” Mater. Lett. 11, 286290.
Karunadasa, H., Huang, Q., Ueland, B. G., Schiffer, P., and Cava, R. J. (2003). “Ba2LnSbo6 and Sr2LnSbO6 (Ln = Dy, Ho, Gd) double perovskites: lanthanides in the geometrically frustrating fcc lattice,” PNAS 100, 80978102.
Larson, A. C. and von Dreele, R. B. (2004). General Structure Analysis System (GSAS), Los Alamos National Laboratory Report LAUR 86-748, Los Alamos, USA.
Lee, P. L., Shu, D., Ramanathan, M., Preissner, C., Wang, J., Beno, M. A., Von Dreele, R. B., Ribaud, L., Kurtz, C., Antao, S. M., Jiao, X., and Toby, B. H. (2008). “A twelve-analyzer detector system for high-resolution powder diffraction,” J. Synchrotron Radiat. 15, 427432.
Li, S., Funahashi, R., Matsubara, I., Yamada, H., Ueno, K., and Sodeoka, S. (2001). “Synthesis and thermoelectric properties of the new oxide ceramics Ca3−xSrxCo4O9+δ (x = 0.0–1.0),” Ceram. Int. 27, 321324.
Masset, A. C., Michel, C., Maignan, A., Hervieu, M., Toulemonde, O., Studer, F., and Raveau, B. (2000). “Misfit-layered cobaltite with an anisotropic giant magnetoresistance: Ca3Co4O9,” Phys. Rev. B 62, 166175.
Maupoey, Z., Azcondo, M. T., Amador, U., Kuhn, A., Perez Flores, J. C., De Paz, J. R., Bonanos, N., and Garcia Alvarado, F. (2012). “The role of the Eu3+/Eu2+ redox-pair in the electrical properties of Sr2EuNb1−xTixO6−d oxides,” J. Mater. Chem. 22, 1803318042.
McMurdie, H., Morris, M., Evans, E., Paretzkin, B., Wong-Ng, W., Ettlinger, L., and Hubbard, C. R. (1986) “JCPDS – International Centre for Diffraction Data task group on cell parameter refinement,” Powder Diffr. 1, 6676.
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. Surf. Sci. 197, 442447.
Moon, Ji-W., Masuda, Y., Seo, W-S., and Koumoto, K. (2001). “Influence of ionic size of rare-earth of rare-earth site on the thermoelectric properties of RCoO3-type perovskite cobalt oxides,” Mater. Sci. Eng. B85, 7075.
Nolas, G. S., Sharp, J., and Goldsmid, H. J. (2001). Thermoelectric: Basic Principles and New Materials Developments (Springer, New York).
Otani, M., Lowhorn, N. D., Schenck, P. K., Wong-Ng, W., and Green, M. (2007). “A high-throughput thermoelectric screening tool for rapid construction of thermoelectric phase diagrams,” Appl. Phys. Lett. 91, 132102.
PDF, Powder Diffraction File (2018). Produced by International Centre for Diffraction Data, 12 Campus Blvd., Newtown Squares, PA. 19073-3273, USA.
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Appl. Crystallogr. 2, 6571.
Sehlin, S. R., Anderson, H. U., and Sparlin, D. M. (1995). “Semi-empirical model for the electrical properties of La1−xCaxCoO3,” Phys. Rev. B 52, 11681.
Shannon, R. D. (1976). “Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides,” Acta Crystallogr. A32, 751767.
Terasaki, I., Sasago, Y., and Uchinokura, K. (1997). “Large thermoelectric power in NaCo2O4 single crystals”, Phys. Rev. B 56, 1268512687.
Trunov, V. K., Sirotinkin, V. P., and Evdokimov, A. A. (1983). “An X-ray diffraction study of the compounds Sr2LnEO6 (E = Nb or Ta),” Russ. J. Inorg. Chem. (Engl. Transl.) 28, 349.
Wang, J., Toby, B. H., Lee, P. L., Ribaud, L., Antao, S., Kurtz, C., Ramanathan, M., Von Dreele, R. B., and Beno, M. A. (2008). “A dedicated powder diffraction beamline at the Advanced Photon Source: commissioning and early operational results,” Rev. Sci. Instrum. 79, 085105.
Wang, S., Venimadhav, A., Guo, S., Chen, K., Li, Q., Soukiassian, A., Schlom, D. G., Pan, X. Q., Wong-Ng, W., Vaudin, M. D., Cahill, D. G., 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.
Wang, Y., Sui, Y., Ren, P., Wang, L., Wang, X., Su, W., and And Fan, H. J. (2010). “Correlation between the structural distortions and thermoelectric characteristics in La1−xAxCoO3 (A = Ca and Sr),” Inorg. Chem. 49, 32163223.
Wong-Ng, W., McMurdie, H. F., Hubbard, C. R., and Mighell, A. D. (2001). “JCPDS-ICDD Research Associateship (Cooperative Program with NBS/NIST),” J. Res. Natl. Inst. Stand. Technol. 106, 10131028.
Wong-Ng, W., Hu, Y. F., Vaudin, M. D., He, B., Otani, M., Lowhorn, N. D., and Li, Q. (2007). “Texture analysis of a Ca3Co4O9 thermoelectric film on Si (100) substrate,” J. Appl. Phys. 102, 33520.
Wong-Ng, W., Liu, G., Martin, J., Thomas, E., Lowhorn, N., and Otani, M. (2010). “Phase compatibility of the thermoelectric compounds in the Sr-Ca-Co-O system,” J. Appl. Phys. 107, 033508.
Wong-Ng, W., Yan, Y., Kaduk, J. A., and Tang, X. F. (2016). “X-ray powder diffraction reference patterns for Bi1−xPbxOCuSe,” Powder Diffr. 31, 223228.
Wong-Ng, W., Yan, Y., Kaduk, J. A., and Tang, X. F. (2017). “Crystallographic and powder diffraction reference patterns for thermoelectric oxyselenides Bi1−xAxOCuSe (A = alkaline-earth elements),” Solid State Sci. 72, 5563.

Keywords

Related content

Powered by UNSILO
Type Description Title
UNKNOWN
Supplementary materials

Wong-Ng et al. supplementary material
Wong-Ng et al. supplementary material 1

 Unknown (587 KB)
587 KB

Synchrotron X-ray diffraction study of double perovskites Sr2RNbO6 (R = Sm, Gd, Dy, Ho, Y, Tm, and Lu)

  • W. Wong-Ng (a1), J. A. Kaduk (a2), S. H. Lapidus (a3), L. Ribaud (a3) and S. P. Diwanji (a1)...

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed.