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Volume 64 
Part 6 
Page i34  
June 2008  

Received 30 April 2008
Accepted 9 May 2008
Online 17 May 2008


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Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](P-O) = 0.006 Å
R = 0.048
wR = 0.138
Data-to-parameter ratio = 12.2
Details

A monoclinic polymorph of KY(PO3)4

Karima Horchani-Naifer,a Anis Jouinia and Mokhtar Férida*

aUnité de Recherches de Matériaux de Terres Rares, Centre National de Recherches en Sciences des Matériaux, BP 95 Hammam-Lif 2050, Tunisia
Correspondence e-mail: mokhtar.ferid@inrst.rnrt.tn

The title compound, potassium yttrium polyphosphate, KY(PO3)4, was synthesized using the flux method. The atomic arrangement consists of an infinite long-chain polyphosphate organization. Chains, with a period of four PO4 tetrahedra, run along the a-axis direction. Two other polymorphs of this phosphate are known, in space groups P21/n and C2/c.

Related literature

For related structures, see: Durif (1995[Durif, A. (1995). Crystal Chemistry of Condensed Phosphates. New York: Plenum Press.]); Hamady et al. (1995[Hamady, A., Jouini, T. & Driss, A. (1995). Acta Cryst. C51, 1970-1972.]); Hong et al. (1975[Hong, H. Y.-P. (1975). Mater. Res. Bull. 10, 1105-1110.]); Malinowski (1990[Malinowski, M. (1990). J. Phys. Chem. Solids, 51, 59-64.]); Malinowski et al. (1988[Malinowski, M., Jackier, B., Boulon, G. & Wolinski, W. (1988). J. Lumin. 39, 301-311.]); Palkina et al. (1977[Palkina, K. K., Saiffuddinov, V. Z., Kuznetsov, V. G. & Chudinova, N. N. (1977). Dokl. Akad. Nauk SSSR, 237, 837-839.]). For earlier work on KY(PO3)4, see: Jouini et al. (2003[Jouini, A., Férid, M. & Trabelsi-Ayadi, M. (2003). Thermochim. Acta, 400, 199-204.]). For related literature, see: Sun et al. (2004[Sun, T., Shen, G., Wang, X., Wang, R., Wei, J. & Shen, D. (2004). Acta Cryst. E60, i28-i30.]).

Experimental

Crystal data

  • KY(PO3)4

  • Mr = 443.89

  • Monoclinic, P 21

  • a = 7.2244 (3) Å

  • b = 8.2825 (3) Å

  • c = 7.854 (4) Å

  • [beta] = 91.735 (3)°

  • V = 469.7 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 7.40 mm-1

  • T = 298 (2) K

  • 0.16 × 0.14 × 0.13 mm
Data collection

  • Enraf-Nonius CAD-4 diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.321, Tmax = 0.376

  • 3651 measured reflections

  • 2011 independent reflections

  • 1904 reflections with I > 2[sigma](I)

  • Rint = 0.081

  • 2 standard reflections every 150 reflections intensity decay: 2%
Refinement

  • R[F2 > 2[sigma](F2)] = 0.048

  • wR(F2) = 0.138

  • S = 1.13

  • 2011 reflections

  • 165 parameters

  • 1 restraint

  • [Delta][rho]max = 1.19 e Å-3

  • [Delta][rho]min = -2.67 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), with 867 Friedel pairs

  • Flack parameter: 0.002 (9)

Data collection: CAD-4 EXPRESS (Duisenberg, 1992[Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.]; Macícek & Yordanov, 1992[Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995[Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.]); 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, 2001[Brandenburg, K. (2001). DIAMOND. Crystal Impact GbR, University of Bonn, Germany.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2073 ).

Acknowledgements

This work was supported by the Ministry of Higher Education, Scientific Research and Technology of Tunisia.

References

Brandenburg, K. (2001). DIAMOND. Crystal Impact GbR, University of Bonn, Germany.
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [details]
Durif, A. (1995). Crystal Chemistry of Condensed Phosphates. New York: Plenum Press.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [ChemPort] [details]
Hamady, A., Jouini, T. & Driss, A. (1995). Acta Cryst. C51, 1970-1972.  [CrossRef] [details]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Hong, H. Y.-P. (1975). Mater. Res. Bull. 10, 1105-1110.  [CrossRef] [ChemPort]
Jouini, A., Férid, M. & Trabelsi-Ayadi, M. (2003). Thermochim. Acta, 400, 199-204.  [CrossRef] [ChemPort]
Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.  [CrossRef] [details]
Malinowski, M. (1990). J. Phys. Chem. Solids, 51, 59-64.  [CrossRef] [ChemPort]
Malinowski, M., Jackier, B., Boulon, G. & Wolinski, W. (1988). J. Lumin. 39, 301-311.  [CrossRef] [ChemPort]
Palkina, K. K., Saiffuddinov, V. Z., Kuznetsov, V. G. & Chudinova, N. N. (1977). Dokl. Akad. Nauk SSSR, 237, 837-839.  [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sun, T., Shen, G., Wang, X., Wang, R., Wei, J. & Shen, D. (2004). Acta Cryst. E60, i28-i30.  [CrossRef] [details]

Acta Cryst (2008). E64, i34  [ doi:10.1107/S1600536808013925 ]

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