(IUCr) Zn2(TeO3)Br2

Volume 64
Part 5
Page i26
May 2008

Received 5 April 2008
Accepted 20 April 2008
Online 26 April 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (Zn-O) = 0.003 Å
R = 0.022
wR = 0.055
Data-to-parameter ratio = 17.4
Details

Zn₂(TeO₃)Br₂

Dong Zhang ^a and Mats Johnsson ^a ^*

^aInorganic Chemistry, Stockholm University, S-106 91 Stockholm, Sweden
Correspondence e-mail: matsj@inorg.su.se

Single crystals of dizinc tellurium dibromide trioxide, Zn₂(TeO₃)Br₂, were synthesized via a transport reaction in sealed evacuated silica tubes. The compound has a layered crystal structure in which the building units are [ZnO₄Br] distorted square pyramids, [ZnO₂Br₂] distorted tetrahedra, and [TeO₃E] tetrahedra (E being the 5s² lone pair of Te⁴⁺) joined through sharing of edges and corners to form layers of no net charge. Bromine atoms and tellurium lone pairs protrude from the surfaces of each layer towards adjacent layers. This new compound Zn₂(TeO₃)Br₂ is isostructural with the synthetic compounds Zn₂(TeO₃)Cl₂, CuZn(TeO₃)₂, Co₂(TeO₃)Br₂ and the mineral sophiite, Zn₂(SeO₃)Cl₂.

Related literature

For related literature, see: Becker et al. (2006); Johnsson & Törnroos (2003a,b, 2007); Semenova et al. (1992); Brown & Altermatt (1985); Galy et al. (1975).

Experimental

Crystal data

Zn₂(TeO₃)Br₂
M_r = 466.18
Orthorhombic, P c c n
a = 10.5446 (2) Å
b = 16.0928 (2) Å
c = 7.7242 (1) Å
V = 1310.74 (3) Å³
Z = 8
Mo K radiation
= 23.79 mm^-1
T = 293 (2) K
0.20 × 0.16 × 0.04 mm

Data collection

Oxford Diffraction Xcalibur3diffractometer
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2007); T_min = 0.05, T_max = 0.35
15561 measured reflections
1290 independent reflections
1201 reflections with I > 2(I)
R_int = 0.026

Refinement

R[F² > 2(F²)] = 0.022
wR(F²) = 0.055
S = 1.09
1290 reflections
74 parameters
_max = 1.08 e Å^-3
_min = -0.82 e Å^-3

Data collection: CrysAlis CCD (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlisCCD and CrysAlisRED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]$ ); cell refinement: CrysAlis RED (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlisCCD and CrysAlisRED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]$ ); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Bergerhoff, 1996); software used to prepare material for publication: enCIFer (Allen et al., 2004).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PK2093 ).

Acknowledgements

This work has been carried out with financial support from the Swedish Research Council.

References

Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004). J. Appl. Cryst. 37, 335-338.
Becker, B., Berger, H., Johnsson, M., Prester, M., Marohnic, Z., Miljak, M. & Herak, M. (2006). J. Solid State Chem. 179, 836-842.
Bergerhoff, G. (1996). DIAMOND. Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.
Galy, J., Meunier, G., Andersson, S. & Åström, A. (1975). J. Solid State Chem. 13, 142-159.
Johnsson, M. & Törnroos, K. W. (2003a). Acta Cryst. C59, i53-i54.
Johnsson, M. & Törnroos, K. W. (2003b). Solid State Sciences, 5, 263-266.
Johnsson, M. & Törnroos, K. W. (2007). Acta Cryst. C63, i34-i36.
Oxford Diffraction (2006). CrysAlisCCD and CrysAlisRED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.
Semenova, T. F., Rozhdestvenskaya, I. V., Filatov, S. K. & Vergasova, L. P. (1992). Mineral. Mag., 56, 241-245.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

inorganic compounds

Zn2(TeO3)Br2