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Volume 66 
Part 6 
Page i48  
June 2010  

Received 6 May 2010
Accepted 21 May 2010
Online 29 May 2010

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](O-B) = 0.007 Å
R = 0.030
wR = 0.064
Data-to-parameter ratio = 14.0
Details
Open access

The trigonal polymorph of strontium tetraborate, [beta]-SrB4O7

aInstitute of Physics SB RAS, Krasnoyarsk 660036, Russian Federation and Siberian Federal University, Svobodnyi st. 79, Krasnoyarsk 660041, Russian Federation
Correspondence e-mail: adva@iph.krasn.ru

The asymmetric unit of the title compound, [beta]-SrB4O7, contains five Sr atoms (three located on a threefold rotation axis), twelve B and 21 O atoms. The structure is made up from BO3 triangles and BO4 tetrahedra in a 1:1 ratio. Pairs of BO3 triangles are linked to BO4 tetrahedra via common corners, forming chains. These chains are further linked to adjacent chains through corner-sharing, leading to a three-dimensional framework with channels running parallel to [001]. The Sr2+ ions reside in the channels and exhibit strongly distorted polyhedra The density of the [beta]-polymorph is considerably lower than that of [alpha]-SrB4O7, which is constructed solely from BO4 tetrahedra.

Related literature

For the orthorhombic [alpha]-polymorph, see: Block et al. (1964[Block, S., Perloff, A. & Weir, C. E. (1964). Acta Cryst. 17, 314-315.]). For the physical properties of this phase, see: Oseledchik et al. (1995[Oseledchik, Y. S., Prosvirnin, A. I., Starshenko, V. V., Osadchuk, V., Pisarevsky, A. I., Belokrys, S. P., Korol, A. S., Svitanko, N. V., Krikunov, S. A. & Selevich, A. F. (1995). Opt. Mater. 4, 669-674.]); Petrov et al. (2004[Petrov, V., Noack, F., Shen, D., Pan, F., Shen, G., Wang, X., Komatsu, R. & Volker, A. (2004). Opt. Lett. 29, 373-375.]); Zaitsev et al. (2006[Zaitsev, A. I., Aleksandrovsky, A. S., Zamkov, A. V. & Sysoev, A. M. (2006). Inorg. Mater. 42, 1360-1362.]); Verwey et al. (1992[Verwey, J. W. M., Dirksen, G. J. & Blasse, G. (1992). J. Phys. Chem. Solids, 53, 367-375.]); Machida et al. (1979[Machida, K., Adachi, G. & Shiokawa, J. (1979). J. Lumin. 21, 101-110.]); Pei et al. (2000[Pei, Z., Zeng, Q. & Su, Q. (2000). J. Phys. Chem. Solids, 61, 9-12.]). For other crystalline phases in the system SrO-B2O3 listed in the ICSD (2009[ICSD (2009). Inorganic Crystal Structure Database. FIZ-Karlsruhe, Germany, and the National Institute of Standards and Technology (NIST), USA. http://www.fiz-karlsruhe.de/icsd.html]), see: Ross & Angel (1991[Ross, N. L. & Angel, R. J. (1991). J. Solid State Chem. 90, 27-30.]); Lin et al. (1999[Lin, Q.-S., Cheng, W.-D., Chen, J.-T. & Huang, J.-S. (1999). J. Solid State Chem. 144, 30-34.]); Wei et al. (2001[Wei, Z. F., Chen, X. L., Wang, F. M., Li, W. C., He, M. & Zhang, Y. (2001). J. Alloys Compd. 327, 10-13.]); Tang et al. (2008[Tang, Z., Chen, X. & Li, M. (2008). Solid State Sci. 10, 894-900.]); Lapshin et al. (2007[Lapshin, A. E., Litovchik, E. O., Polyakova, I. G. & Shepelev, Yu. F. (2007). Zh. Neorg. Khim. 52, 907-911.]); Kim et al. (1996[Kim, J.-B., Lee, K.-S., Suh, I.-H., Lee, J.-H., Park, J.-R. & Shin, Y.-H. (1996). Acta Cryst. C52, 498-500.]). For glass-phases in this system, see: Imaoka (1959[Imaoka, M. (1959). J. Ceram. Assoc. Jpn, 67, 364-366.]); Polyakova & Litovchik (2008[Polyakova, I. G. & Litovchik, E. O. (2008). Fiz. Khim. Stekla, 34, 488-502.]). For a review of B-O bond lengths in BO3 and BO4 units, see: Zobetz (1982[Zobetz, E. (1982). Z. Kristallogr. 160, 81-92.], 1990[Zobetz, E. (1990). Z. Kristallogr. 191, 45-57.]).

Experimental

Crystal data
  • SrB4O7

  • Mr = 242.86

  • Trigonal, P 3

  • a = 17.145 (1) Å

  • c = 4.2527 (5) Å

  • V = 1082.61 (16) Å3

  • Z = 9

  • Mo K[alpha] radiation

  • [mu] = 11.19 mm-1

  • T = 296 K

  • 0.40 × 0.25 × 0.18 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2004[Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.]) Tmin = 0.095, Tmax = 0.242

  • 10350 measured reflections

  • 3709 independent reflections

  • 3202 reflections with I > 2[sigma](I)

  • Rint = 0.054

Refinement
  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.064

  • S = 0.85

  • 3709 reflections

  • 265 parameters

  • [Delta][rho]max = 1.02 e Å-3

  • [Delta][rho]min = -0.49 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1836 Friedel pairs

  • Flack parameter: -0.030 (7)

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2001[Bruker (2001). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2345 ).


Acknowledgements

We thank the State Program for Support of Leading Scientific Schools (grant LS-4645.2010.2.)

References

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Bruker (2001). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
ICSD (2009). Inorganic Crystal Structure Database. FIZ-Karlsruhe, Germany, and the National Institute of Standards and Technology (NIST), USA. http://www.fiz-karlsruhe.de/icsd.html
Imaoka, M. (1959). J. Ceram. Assoc. Jpn, 67, 364-366.  [ChemPort]
Kim, J.-B., Lee, K.-S., Suh, I.-H., Lee, J.-H., Park, J.-R. & Shin, Y.-H. (1996). Acta Cryst. C52, 498-500.  [CrossRef] [details]
Lapshin, A. E., Litovchik, E. O., Polyakova, I. G. & Shepelev, Yu. F. (2007). Zh. Neorg. Khim. 52, 907-911.  [ChemPort]
Lin, Q.-S., Cheng, W.-D., Chen, J.-T. & Huang, J.-S. (1999). J. Solid State Chem. 144, 30-34.  [ISI] [CrossRef] [ChemPort]
Machida, K., Adachi, G. & Shiokawa, J. (1979). J. Lumin. 21, 101-110.  [CrossRef] [ChemPort] [ISI]
Oseledchik, Y. S., Prosvirnin, A. I., Starshenko, V. V., Osadchuk, V., Pisarevsky, A. I., Belokrys, S. P., Korol, A. S., Svitanko, N. V., Krikunov, S. A. & Selevich, A. F. (1995). Opt. Mater. 4, 669-674.  [CrossRef] [ChemPort] [ISI]
Pei, Z., Zeng, Q. & Su, Q. (2000). J. Phys. Chem. Solids, 61, 9-12.  [CrossRef] [ChemPort]
Petrov, V., Noack, F., Shen, D., Pan, F., Shen, G., Wang, X., Komatsu, R. & Volker, A. (2004). Opt. Lett. 29, 373-375.  [ISI] [CrossRef] [PubMed] [ChemPort]
Polyakova, I. G. & Litovchik, E. O. (2008). Fiz. Khim. Stekla, 34, 488-502.
Ross, N. L. & Angel, R. J. (1991). J. Solid State Chem. 90, 27-30.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tang, Z., Chen, X. & Li, M. (2008). Solid State Sci. 10, 894-900.  [ISI] [CrossRef] [ChemPort]
Verwey, J. W. M., Dirksen, G. J. & Blasse, G. (1992). J. Phys. Chem. Solids, 53, 367-375.  [CrossRef] [ChemPort]
Wei, Z. F., Chen, X. L., Wang, F. M., Li, W. C., He, M. & Zhang, Y. (2001). J. Alloys Compd. 327, 10-13.  [ISI] [CrossRef]
Zaitsev, A. I., Aleksandrovsky, A. S., Zamkov, A. V. & Sysoev, A. M. (2006). Inorg. Mater. 42, 1360-1362.  [ISI] [CrossRef] [ChemPort]
Zobetz, E. (1982). Z. Kristallogr. 160, 81-92.  [CrossRef] [ChemPort]
Zobetz, E. (1990). Z. Kristallogr. 191, 45-57.  [ChemPort]


Acta Cryst (2010). E66, i48  [ doi:10.1107/S1600536810019069 ]

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