(IUCr) Dineodymium(III) ditungstate(VI), Nd2W2O9

Volume 64
Part 6
Page i29
June 2008

Received 2 April 2008
Accepted 10 April 2008
Online 3 May 2008

Key indicators
Single-crystal X-ray study
T = 290 K
Mean (W-O) = 0.007 Å
R = 0.037
wR = 0.093
Data-to-parameter ratio = 19.6
Details

Dineodymium(III) ditungstate(VI), Nd₂W₂O₉

Peter Held ^a ^* and Petra Becker ^a

^aInstitut für Kristallographie, Universität zu Köln, Zülpicher Strasse 49b, D-50674 Köln, Germany
Correspondence e-mail: peter.held@uni-koeln.de

Single crystals of monoclinic Nd₂W₂O₉ were obtained by growth from tungsten borate flux in an atmosphere of air. The crystal structure consists of chains of distorted [WO₆] octahedra that run along the c axis of the structure, and of [NdO₉] polyhedra that are connected via common faces and common edges to form a three-dimensional framework.

Related literature

For literature on related structures, see: Lacorre et al. (2000), Goutenoire et al. (2000) and Evans et al. (2005) for La₂Mo₂O₉; Laligant et al. (2001) for La₂W₂O₉; Yoshimura et al. (1976) for Ce₂W₂O₉; Borisov & Klevtsova (1970) for Pr₂W₂O₉; Aruga et al. (2005) for Eu₂W₂O₉.

Experimental

Crystal data

Nd₂W₂O₉
M_r = 800.17
Monoclinic, P 2₁ /c
a = 7.6501 (11) Å
b = 9.8547 (10) Å
c = 9.2326 (13) Å
= 107.538 (11)°
V = 663.69 (15) Å³
Z = 4
Mo K radiation
= 49.96 mm^-1
T = 290 (1) K
0.25 × 0.15 × 0.13 mm

Data collection

Stoe IPDSII diffractometer
Absorption correction: numerical [X-SHAPE (Stoe & Cie, 1999) and X-RED (Stoe & Cie, 2001)] T_min = 0.080, T_max = 0.469
15723 measured reflections
2330 independent reflections
2072 reflections with I > 2(I)
R_int = 0.088

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.093
S = 1.09
2330 reflections
119 parameters
_max = 2.34 e Å^-3
_min = -1.62 e Å^-3

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ATOMS (Dowty, 2002); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2082 ).

Acknowledgements

This work was supported by the Deutsche Forschungsgemeinschaft (DFG) (grant No. BE 2147/6-1). The authors thank G. Meyer and I. Pantenburg from the Institute of Inorganic Chemistry of the University of Cologne for help with data collection.

References

Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.
Aruga, A., Matsuda, T., Hasegawa, T. & Shioi, K. (2005). Nippon Kagakkai Koen Yokoshu (Preprints of the Conference of the Chemical Society of Japan), 85, 689.
Borisov, S. V. & Klevtsova, R. F. (1970). Sov. Phys. Crystallogr. 15, 28-31.
Dowty, E. (2002). ATOMS for Windows. Shape Software, Kingsport, Tennessee, USA.
Evans, I. R., Howard, J. A. K. & Evans, J. S. O. (2005). Chem. Mater. 17, 4074-4077.
Goutenoire, F., Isnard, O., Retoux, R. & Lacorre, P. (2000). Chem. Mater. 12, 2575-2580.
Lacorre, P., Goutenoire, F., Bohnke, O., Retoux, R. & Laligant, Y. (2000). Nature, 404, 856-858.
Laligant, Y., Le Bail, A. & Goutenoire, F. (2001). J. Solid State Chem. 159, 223-227.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Stoe & Cie (1999). X-SHAPE. Stoe & Cie, Darmstadt, Germany.
Stoe & Cie (2001). X-RED and X-AREA. Stoe & Cie, Darmstadt, Germany.
Yoshimura, M., Sibieude, F., Rouanet, A. & Foex, M. (1976). J. Solid State Chem. 16, 219-232.

inorganic compounds

Dineodymium(III) ditungstate(VI), Nd2W2O9