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Volume 69 
Part 5 
Page i24  
May 2013  

Received 8 March 2013
Accepted 22 March 2013
Online 5 April 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](Sb-S) = 0.001 Å
R = 0.018
wR = 0.042
Data-to-parameter ratio = 23.2
Details
Open access

Ba2Sb4GeS10

aDepartment of Physics and Electronic Information, Huaibei Normal University, Huaibei, Anhui 235000, People's Republic of China
Correspondence e-mail: lgeng.cn@gmail.com

The title quaternary compound, dibarium tetraantimony germanium decasulfide, Ba2Sb4GeS10, crystallizes in a novel three-dimensional [infinity]3[Sb4GeS10]4- network structure, which is composed of triangular pyramidal SbS3 (site symmetry m..), distorted SbS5 (m..) polyhedra and regular GeS4 (-4..) tetrahedra. The SbS3 and SbS5 units are connected with each other through corner- and edge-sharing, forming a Sb4S10 layer in the ab plane. The GeS4 tetrahedra further bridge two neighbouring Sb4S10 layers, forming a three-dimensional [infinity]3[Sb4GeS10]4- network. The Ba2+ cation (..2) is located between two Sb4S10 layers and is coordinated by ten S atoms with Ba-S bond lengths in the range 3.2505 (9)-3.4121 (2) Å.

Related literature

The stereochemically active 5s2 lone-pair electrons possess a large electric dipole moment and can influence structures that contain Sb3+, see: Choi & Kanatzidis (2000[Choi, K. S. & Kanatzidis, M. G. (2000). Inorg. Chem. 39, 5655-5662.]); Babo & Albrecht-Schmitt (2012[Babo, J. M. & Albrecht-Schmitt, T. E. (2012). J. Solid State Chem. 187, 264-268.]). SbS3, SbS4 or SbS5 units in a crystal structure are prone to form Sb-S chains through corner- or edge-sharing, see: Dorrscheidt & Schäfer (1981[Dorrscheidt, W. & Schäfer, H. (1981). Z. Naturforsch. Teil B, 36, 410-414.]); Cordier et al. (1984[Cordier, G., Schwidetzky, C. & Schäfer, H. (1984). J. Solid State Chem. 54, 84-88.]). GeS4 tetrahedra can be utilized as the second structural unit and introduced into crystal structures to connect Sb-S chains into a two-dimensional layer or three-dimensional framework structure (Feng et al., 2008[Feng, M. L., Kong, D. N., Xie, Z. L. & Huang, X. Y. (2008). Angew. Chem. Int. Ed. 47, 8623-8626.]). For crystal structures and optical properties, see: Deng et al. (2005[Deng, B., Chan, G. H., Ellis, D. E., Van Duyne, R. P. & Ibers, J. A. (2005). J. Solid State Chem. 178, 3169-3175.]); Kim et al. (2008[Kim, Y., Seo, I. S., Martin, S. W., Baek, J., Halasyamani, P. S., Arumugam, N. & Steinfink, H. (2008). Chem. Mater. 20, 6048-6052.]); Ribes et al. (1973[Ribes, M., Olivier-Fourcade, J., Philippot, E. & Maurin, M. (1973). J. Solid State Chem. 8, 195-205.]); Teske (1979[Teske, C. L. (1979). Z. Naturforsch. Teil B, 34, 544-547.]); Lekse et al. (2009[Lekse, J. W., Moreau, M. A., McNerny, K. L., Yeon, J., Halasyamani, P. S. & Aitken, J. A. (2009). Inorg. Chem. 48, 7516-7518.]).

Experimental

Crystal data
  • Ba2Sb4GeS10

  • Mr = 1154.87

  • Tetragonal, P 42 /m b c

  • a = 11.3119 (4) Å

  • c = 13.6384 (9) Å

  • V = 1745.16 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 13.40 mm-1

  • T = 293 K

  • 0.22 × 0.07 × 0.07 mm

Data collection
  • Rigaku SCXMini CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.530, Tmax = 1.000

  • 12411 measured reflections

  • 1046 independent reflections

  • 1032 reflections with I > 2[sigma](I)

  • Rint = 0.030

Refinement
  • R[F2 > 2[sigma](F2)] = 0.018

  • wR(F2) = 0.042

  • S = 1.15

  • 1046 reflections

  • 45 parameters

  • [Delta][rho]max = 0.66 e Å-3

  • [Delta][rho]min = -0.74 e Å-3

Data collection: CrystalClear (Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JJ2163 ).


Acknowledgements

The author gratefully acknowledges the support of the Natural Science Research Project for Colleges and Universities of Anhui Province (KJ2013B238).

References

Babo, J. M. & Albrecht-Schmitt, T. E. (2012). J. Solid State Chem. 187, 264-268.  [ISI] [CrossRef] [ChemPort]
Brandenburg, K. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany
Choi, K. S. & Kanatzidis, M. G. (2000). Inorg. Chem. 39, 5655-5662.  [ISI] [CrossRef] [PubMed] [ChemPort]
Cordier, G., Schwidetzky, C. & Schäfer, H. (1984). J. Solid State Chem. 54, 84-88.  [CrossRef] [ChemPort] [ISI]
Deng, B., Chan, G. H., Ellis, D. E., Van Duyne, R. P. & Ibers, J. A. (2005). J. Solid State Chem. 178, 3169-3175.  [ISI] [CrossRef] [ChemPort]
Dorrscheidt, W. & Schäfer, H. (1981). Z. Naturforsch. Teil B, 36, 410-414.
Feng, M. L., Kong, D. N., Xie, Z. L. & Huang, X. Y. (2008). Angew. Chem. Int. Ed. 47, 8623-8626.  [ISI] [CSD] [CrossRef] [ChemPort]
Kim, Y., Seo, I. S., Martin, S. W., Baek, J., Halasyamani, P. S., Arumugam, N. & Steinfink, H. (2008). Chem. Mater. 20, 6048-6052.  [ISI] [CrossRef] [ChemPort]
Lekse, J. W., Moreau, M. A., McNerny, K. L., Yeon, J., Halasyamani, P. S. & Aitken, J. A. (2009). Inorg. Chem. 48, 7516-7518.  [ISI] [CrossRef] [PubMed] [ChemPort]
Ribes, M., Olivier-Fourcade, J., Philippot, E. & Maurin, M. (1973). J. Solid State Chem. 8, 195-205.  [CrossRef] [ChemPort] [ISI]
Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Teske, C. L. (1979). Z. Naturforsch. Teil B, 34, 544-547.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, i24  [ doi:10.1107/S1600536813007988 ]

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