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Volume 64 
Part 8 
Page i52  
August 2008  

Received 14 May 2008
Accepted 1 July 2008
Online 31 July 2008


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Key indicators
Single-crystal X-ray study
T = 780 K
Mean [sigma](Te-O) = 0.027 Å
R = 0.036
wR = 0.095
Data-to-parameter ratio = 13.7
Details

The [delta]-phase of SrTeO3 at 780 K1

Valery E. Zavodnik,a Sergey A. Ivanova,b* and Adam I. Stasha

aKarpov Institute of Physical Chemistry, 10 Vorontsovo Pole, 105064 Moscow, Russian Federation, and bMaterials Chemistry, Uppsala University, Box 538, SE-75121, Uppsala, Sweden
Correspondence e-mail: ivan@cc.nifhi.ac.ru

As part of a structural investigation of strontium tellurate(IV) (STO), SrTeO3, with particular emphasis on the crystal chemistry and phase transitions, the structure of the [delta]-phase has been determined at 780 K using a single-crystal analysis. Both structural and non-linear optical measurements indicate that STO undergoes a [gamma][rightwards arrow][delta] second-order ferroelectric phase transition at 633 K from the C2 ([gamma]) to the C2/m ([delta]) modification. Systematic differences between the similar [gamma]- and [delta]-phase structures were determined and it was found that this phase transformation can be described by a displacive mechanism.

Related literature

Single crystals of strontium tellurate(IV) (STO) were prepared by Sadovskaya (1984[Sadovskaya, L. Ya. (1984). Thesis, Dnepropetrovsk University, Ukraine.]). Structural phase transitions of STO have been studied by X-ray powder diffraction by Ismailzade et al. (1979[Ismailzade, I. H., Kudzin, A. Yu. & Sadovskaya, L. Ya. (1979). Phys. Status Solidi A, 52, K105-109.]) and Simon et al. (1979[Simon, A., Von der Mühll, R., Ravez, J., Hagenmuller, P. & Pascual, J. F. (1979). Mater. Res. Bull. 14, 27-32.]), neutron powder diffraction studies have been conducted by Dityatiev et al. (2006[Dityatiev, O. A., Berdonosov, P. S., Dolgikh, V. A., Aldous, D. W. & Lightfoot, P. (2006). Solid State Sci. 8, 830-835.]) and second harmonic generation studies by Libertz & Sadovskaya (1980[Libertz, G. V. & Sadovskaya, L. Ya. (1980). Phys. Status Solidi A, 62, K167-168.]). The temperature dependence of the physical properties of STO was analysed by Yamada & Iwasaki (1972[Yamada, T. & Iwasaki, H. (1972). Appl. Phys. Lett. 21, 89-90.], 1973[Yamada, T. & Iwasaki, H. (1973). J. Appl. Phys. 44, 3934-3939.]), Yamada (1975[Yamada, T. (1975). Rev. Electr. Commun. Lab. 23, 564-568.]) and Kudzin et al. (1988[Kudzin, A. Yu., Pasalskii, V. M., Polesya, A. F. & Sadovskaya, L. Ya. (1988). Ukr. Fiz. Zh. 33, 251-253.]). For related literature, see: Antonenko et al. (1982[Antonenko, A. N., Kudzin, A. Yu. & Sadovskaya, L. Ya. (1982). Neorg. Mater. 18, 1213-1216.]); Avramenko et al. (1984[Avramenko, V. P., Kudzin, A. Yu. & Sadovskaya, L. Ya. (1984). Solid State Phys. 26, 359-360.]); Kudzin et al. (1982[Kudzin, A. Yu., Moiseenko, N. V. & Sadovskaya, L. Ya. (1982). Solid State Phys. 24, 2837-2839.]); Zavodnik et al. (2007a[Zavodnik, V. E., Ivanov, S. A. & Stash, A. I. (2007a). Acta Cryst. E63, i75-i76.],b[Zavodnik, V. E., Ivanov, S. A. & Stash, A. I. (2007b). Acta Cryst. E63, i111-i112.],c[Zavodnik, V. E., Ivanov, S. A. & Stash, A. I. (2007c). Acta Cryst. E63, i151.]).

Experimental

Crystal data

  • SrTeO3

  • Mr = 263.22

  • Monoclinic, C 2/m

  • a = 28.438 (6) Å

  • b = 5.950 (1) Å

  • c = 15.550 (3) Å

  • [beta] = 122.45 (3)°

  • V = 2220.3 (8) Å3

  • Z = 24

  • Mo K[alpha] radiation

  • [mu] = 22.11 mm-1

  • T = 780 (2) K

  • 0.13 × 0.10 × 0.04 mm
Data collection

  • Enraf-Nonius CAD-4 diffractometer

  • Absorption correction: analytical (Alcock, 1970[Alcock, N. W. (1970). Crystallographic Computing, edited by F. R. Ahmed, pp. 271-278. Copenhagen: Munksgaard.]) Tmin = 0.169, Tmax = 0.475

  • 1681 measured reflections

  • 1611 independent reflections

  • 538 reflections with I > 2[sigma](I)

  • Rint = 0.062

  • [theta]max = 22.5°

  • 3 standard reflections frequency: 60 min intensity decay: none
Refinement

  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.095

  • S = 0.78

  • 1611 reflections

  • 118 parameters

  • [Delta][rho]max = 1.22 e Å-3

  • [Delta][rho]min = -1.12 e Å-3

Data collection: CAD-4-PC (Enraf-Nonius, 1993[Enraf-Nonius (1993). CAD-4-PC. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: CAD-4-PC; data reduction: CAD-4-PC; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg, 2005[Brandenburg, K. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: CIFTAB97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2075 ).

Acknowledgements

The authors thank Dr L. Ya. Sadovskaya for the single crystal preparation and Dr S. Yu. Stefanovich for the second harmonic generation measurements. This research was supported by the Russian Foundation for Basic Research (grant No. 06-03-32449).

References

Alcock, N. W. (1970). Crystallographic Computing, edited by F. R. Ahmed, pp. 271-278. Copenhagen: Munksgaard.
Antonenko, A. N., Kudzin, A. Yu. & Sadovskaya, L. Ya. (1982). Neorg. Mater. 18, 1213-1216.  [ChemPort]
Avramenko, V. P., Kudzin, A. Yu. & Sadovskaya, L. Ya. (1984). Solid State Phys. 26, 359-360.
Brandenburg, K. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Dityatiev, O. A., Berdonosov, P. S., Dolgikh, V. A., Aldous, D. W. & Lightfoot, P. (2006). Solid State Sci. 8, 830-835.  [CrossRef] [ChemPort]
Enraf-Nonius (1993). CAD-4-PC. Enraf-Nonius, Delft, The Netherlands.
Ismailzade, I. H., Kudzin, A. Yu. & Sadovskaya, L. Ya. (1979). Phys. Status Solidi A, 52, K105-109.  [CrossRef] [ChemPort]
Kudzin, A. Yu., Moiseenko, N. V. & Sadovskaya, L. Ya. (1982). Solid State Phys. 24, 2837-2839.  [ChemPort]
Kudzin, A. Yu., Pasalskii, V. M., Polesya, A. F. & Sadovskaya, L. Ya. (1988). Ukr. Fiz. Zh. 33, 251-253.  [ChemPort]
Libertz, G. V. & Sadovskaya, L. Ya. (1980). Phys. Status Solidi A, 62, K167-168.  [CrossRef]
Sadovskaya, L. Ya. (1984). Thesis, Dnepropetrovsk University, Ukraine.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Simon, A., Von der Mühll, R., Ravez, J., Hagenmuller, P. & Pascual, J. F. (1979). Mater. Res. Bull. 14, 27-32.  [CrossRef] [ChemPort]
Yamada, T. (1975). Rev. Electr. Commun. Lab. 23, 564-568.  [ChemPort]
Yamada, T. & Iwasaki, H. (1972). Appl. Phys. Lett. 21, 89-90.  [CrossRef] [ChemPort]
Yamada, T. & Iwasaki, H. (1973). J. Appl. Phys. 44, 3934-3939.  [CrossRef] [ChemPort]
Zavodnik, V. E., Ivanov, S. A. & Stash, A. I. (2007a). Acta Cryst. E63, i75-i76.  [CrossRef] [details]
Zavodnik, V. E., Ivanov, S. A. & Stash, A. I. (2007b). Acta Cryst. E63, i111-i112.  [CrossRef] [details]
Zavodnik, V. E., Ivanov, S. A. & Stash, A. I. (2007c). Acta Cryst. E63, i151.  [CrossRef] [details]

Acta Cryst (2008). E64, i52  [ doi:10.1107/S1600536808020151 ]

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