Register      Login
Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
Shopping Cart: ( empty )
You are here: Home > Journals > CH > CH11313
RESEARCH FRONT
Contents Vol 65(3)

Synchrotron X-Ray Powder Diffraction Studies of Structural Phase Transitions in Perovskite Oxides

Brendan J. Kennedy A B , Ilyas Qasim A , Emily Reynolds A , Teck-Yee Tan A and Qingdi Zhou A
+ Author Affiliations
- Author Affiliations

A School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia.

B Corresponding author. Email: b.kennedy@chem.usyd.edu.au

Australian Journal of Chemistry 65(3) 229-235 https://doi.org/10.1071/CH11313
Submitted: 26 July 2011  Accepted: 27 October 2011   Published: 14 December 2011

Abstract

The utilization of the high resolution powder diffractometer at the Australian Synchrotron to obtain accurate and precise structures of some perovskite-type oxides is described. The structure of CdTiO3 has been studied from room temperature to 1000°C by high-resolution synchrotron X-ray powder diffraction. It was found that CdTiO3 remains orthorhombic in the Pbnm space group over the entire temperature range, with the expansion in the cell volume well fitted to the expression CH11313_IE1.gif. The magnitudes of the TiO6 tilts are estimated from the refined structural parameters and these progressively reduce as the temperature is increased. The effect of Sr content on the room temperature structure of the double perovskites Ba2–xSrxInTaO6 is also described. At room temperature Ba2InTaO6 crystallizes in a cubic structure in space group CH11313_IE2.gif. Doping with Sr results in tilting of the corner sharing octahedra with a concurrent lowering of symmetry with the sequence of structures being

CH11313_UE1.gif


References

[1]  W. L. Bragg, Proc. R. Soc. London, Ser. A 1914, 89, 468.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaC2cXot1Gi&md5=53f5ac6ec6d3c493185767484cabc4a1CAS |

[2]  R. H. Mitchell, Perovskites: Modern and Ancient 2002 (Almaz Press: Ont., Canada).

[3]  M. T. Anderson, K. B. Greenwood, G. A. Taylor, K. R. Poeppelmeier, Prog. Solid State Chem. 1993, 22, 197.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2MXjsFCgsQ%3D%3D&md5=4a979b9548e38b84d8b2763ab3beac3dCAS |

[4]  C. J. Howard, B. J. Kennedy, P. M. Woodward, Acta Crystallogr., Sect. B:Struct. Sci. 2003, 59, 463.
         | Crossref | GoogleScholarGoogle Scholar |

[5]  K. S. Wallwork, B. J. Kennedy, D. Wang, AIP Conf. Proc. 2007, 879, 879.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXjtlegur0%3D&md5=dec403f6f682b3a183f69a1199723bd0CAS |

[6]  B. A. Hunter, C. J. Howard, RIETICA: A Computer Program for Rietveld Analysis of X-Ray and Neutron Powder Diffraction Patterns 1998 (Lucas Heights, Australia).

[7]  E. Posnjak, T. F. W. Barth, Z. Kristallogr. 1934, 88, 271.
         | 1:CAS:528:DyaA2cXlsVyhug%3D%3D&md5=2c431413a3543601ceec19e2031bb3ffCAS |

[8]  B. J. Kennedy, C. J. Howard, B. C. Chakoumakos, J. Phys.: Condens. Matter 1999, 11, 1479.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1MXitFemt74%3D&md5=828b3c3d57d8ada63b3acb6270b95a8dCAS |

[9]  H. F. Kay, J. L. Miles, Acta Crystallogr. 1957, 10, 213.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG2sXktFyjtQ%3D%3D&md5=101c1fbee0f5bbd12d4f4714e2e351f1CAS |

[10]  S. Sasaki, C. T. Prewitt, J. D. Bass, W. A. Schulze, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 1987, 43, 1668.
         | Crossref | GoogleScholarGoogle Scholar |

[11]  V. M. Lebedev, Y. N. Venevtsev, G. S. Zhdanov, Sov. Phys. Crystallogr. 1970, 15, 318.

[12]  V. I. Torgashev, Y. I. Yuzyuk, V. B. Shirokov, V. V. Lemanov, I. E. Spektor, Phys. Solid State 2005, 47, 337.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2MXitVaku78%3D&md5=73b49756337a658a1e573a7842c72228CAS |

[13]  S. A. T. Redfern, J. Phys.: Condens. Matter 1996, 8, 8267.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28Xms1agsbs%3D&md5=23e1785240ee310c4f162873bda9afcbCAS |

[14]  M. Yashima, R. Ali, Solid State Ionics 2009, 180, 120.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXitF2ktL8%3D&md5=431811228f9cee8549dfa5729d00070fCAS |

[15]  K. S. Knight, J. Alloy. Comp. 2011, 509, 6337.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXlvVWqsLg%3D&md5=8068448b2cb94e2a68c83f579d1045f6CAS |

[16]  G. Fabricius, A. Lopez Garcya, Phys. Rev. B 2002, 66, 233106.
         | Crossref | GoogleScholarGoogle Scholar |

[17]  C. N. W. Darlington, Acta Crystallogr. A 2002, 58, 66.
         | Crossref | GoogleScholarGoogle Scholar | 1:STN:280:DC%2BD38%2FgtFSgsw%3D%3D&md5=ca87d56e6bed380088c4b8d1764b1a69CAS |

[18]  P. M. Woodward, Acta Crystallogr., Sect. B: Struct. Sci. 1997, 53, 32.
         | Crossref | GoogleScholarGoogle Scholar |

[19]  A. M. Glazer, Acta Crystallogr., Sect. B: Struct. Sci. 1972, 28, 3384.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE3sXitFWjtA%3D%3D&md5=b2a1631303aa2c454e638a37017add83CAS |

[20]  T. M. Sabine, B. J. Kennedy, R. F. Garrett, G. J. Foran, D. J. Cookson, J. Appl. Crystallogr. 1995, 28, 513.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2MXpt1ensrg%3D&md5=1a301d17367ad0943f471d79e883adf3CAS |

[21]  B. J. Kennedy, M. Avdeev, Q. Zhou, J. Solid State Chem. 2011, 184, 2987.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXhtlGnsrjM&md5=4a49bc1555bd1a64f0f319f850f954edCAS |

[22]  C. J. Howard, K. S. Knight, B. J. Kennedy, E. H. Kisi, J. Phys.: Condens. Matter 2000, 12, L677.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXosVGgtL8%3D&md5=b94040636d4d30ebe9dd4f996ca472ccCAS |

[23]  B. J. Kennedy, B. A. Hunter, Phys. Rev. B: Condens. Matter Mater. Phys. 1998, 58, 653.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1cXktlOrtb8%3D&md5=f899ec3bd636fd114d03523d5bc4bb28CAS |

[24]  B. J. Kennedy, B. A. Hunter, J. R. Hester, Phys. Rev. B: Condens. Matter Mater. Phys. 2002, 65, 224103.
         | Crossref | GoogleScholarGoogle Scholar |

[25]  E. E. Rodriguez, F. Poineau, A. Llobet, B. J. Kennedy, M. Avdeev, G. J. Thorogood, M. L. Carter, R. Seshadri, D. J. Singh, A. K. Cheetham, Phys. Rev. Lett. 2011, 106, 067201.
         | Crossref | GoogleScholarGoogle Scholar |

[26]  G. L. Catchen, S. J. Wukitch, D. M. Spaar, M. Blaszkiewicz, Phys. Rev. B: Condens. Matter Mater. Phys. 1990, 42, 1885.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3cXlsVegt7w%3D&md5=6aa6293d0a47d4246d9e4c686e503559CAS |

[27]  I. M. Reaney, D. Iddles, J. Am. Ceram. Soc. 2006, 89, 2063.
         | 1:CAS:528:DC%2BD28XmslWrtr8%3D&md5=002a475672efa9aad71a705658833dacCAS |

[28]  J. Yin, Z. G. Zou, J. H. Ye, Phys. Rev. B: Condens. Matter Mater. Phys. 2003, 107, 61.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD38XptFCgtL4%3D&md5=0213e47b3dade8142eec3bf4c488e598CAS |

[29]  A. Dias, L. A. Khalam, M. T. Sebastian, R. L. Moreira, J. Solid State Chem. 2007, 180, 2143.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXnvFyltbw%3D&md5=75e8140ebe954e44948d3982b40eb0d9CAS |

[30]  V. Ting, Y. Liu, R. L. Withers, E. Krausz, J. Solid State Chem. 2004, 177, 979.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXitV2ktrk%3D&md5=00f8dc34c52467e3fd8205da2253222dCAS |

[31]  V. Ting, Y. Liu, R. L. Withers, L. Noren, M. James, J. D. FitzGerald, J. Solid State Chem. 2006, 179, 551.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XptVejsg%3D%3D&md5=19d5cc3cdbbbe67de0223d17c5c4058aCAS |

[32]  R. D. Shannon, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. 1976, 32, 751.
         | Crossref | GoogleScholarGoogle Scholar |

[33]  P. W. Barnes, M. W. Lufaso, P. M. Woodward, Acta Crystallogr., Sect. B: Struct. Sci. 2006, 62, 384.
         | Crossref | GoogleScholarGoogle Scholar |

[34]  H. Karunadasa, Q. Huang, B. G. Ueland, P. Schiffer, R. J. Cava, Proc. Natl. Acad. Sci. USA 2003, 100, 8097.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3sXlsFGns78%3D&md5=ac7c4ccc0fbea3d96b745f31fe300073CAS |

[35]  Q. D. Zhou, B. J. Kennedy, M. M. Elcombe, J. Solid State Chem. 2007, 180, 541.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXht1yiur8%3D&md5=44b2877fb961368a0ed0ca75c2d04b18CAS |

[36]  Q. D. Zhou, B. J. Kennedy, C. J. Howard, M. M. Elcombe, A. J. Studer, Chem. Mater. 2005, 17, 5357.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2MXpvFCiu7k%3D&md5=c25f54ae69b32008df9e000233a26710CAS |

[37]  B. J. Kennedy, K. Yamaura, E. Takayama-Muromachi, J. Phys. Chem. Solids 2004, 65, 1065.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXjsVaktLg%3D&md5=e2718b1ad577beaf0e6f579766a4883dCAS |

[38]  R. B. Macquart, B. J. Kennedy, M. Avdeev, J. Solid State Chem. 2010, 183, 250.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXjslaqsQ%3D%3D&md5=3cef177eeaeeadfdad72384e6b383309CAS |