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Volume 64 
Part 6 
Page i33  
June 2008  

Received 1 April 2008
Accepted 2 May 2008
Online 10 May 2008


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Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](P-O) = 0.002 Å
R = 0.019
wR = 0.051
Data-to-parameter ratio = 15.9
Details

Lutetium ultraphosphate

Karima Horchani-Naifera 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 structure of the title compound, LuP5O14, comprises puckered eight-membered PO4 rings linked by the lutetium cations in a complex way, forming a three-dimensional framework. Each eight-membered phosphate ring shares a bridging tetrahedron with each of four adjacent tetrahedra, to form layers of PO4 tetrahedra. These layers are c/2 in thickness and parallel to the ab plane. Each Lu ion is contained in one such layer, forming bonds to six O atoms in that layer and also to one O atom belonging to a tetrahedron in each of the layers lying above and below it. The LuO8 polyhedra are isolated from one another, since they share no common atoms. The Lu ions lie on twofold axes (special position 4e) and the shortest Lu...Lu distance is 5.703 (1) Å.

Related literature

For related literature, see: Durif (1971[Durif, A. (1971). Bull. Soc. Fr. Mineral. Cristallogr. 94, 314-318.]); Hong (1974[Hong, H. Y.-P. (1974). Acta Cryst. B30, 468-474.]); Hong & Pierce (1974[Hong, H. Y.-P. & Pierce, J. W. (1974). Mater. Res. Bull. 9, 179-190.]). For the classification of ultraphosphates, see: Bagieu-Beucher & Tranqui (1970[Bagieu-Beucher, M. & Tranqui, D. (1970). Bull. Soc. Fr. Mineral. Cristallogr. 93, 505-508.]).

Experimental

Crystal data

  • LuP5O14

  • Mr = 553.82

  • Monoclinic, C 2/c

  • a = 12.8128 (14) Å

  • b = 12.6821 (13) Å

  • c = 12.3330 (13) Å

  • [beta] = 91.295 (3)°

  • V = 2003.5 (4) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 10.74 mm-1

  • T = 298 (2) K

  • 0.20 × 0.19 × 0.18 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 = 0.121, Tmax = 0.145

  • 10422 measured reflections

  • 2912 independent reflections

  • 2734 reflections with I > 2[sigma](I)

  • Rint = 0.031

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

  • R[F2 > 2[sigma](F2)] = 0.019

  • wR(F2) = 0.050

  • S = 1.08

  • 2912 reflections

  • 183 parameters

  • [Delta][rho]max = 1.34 e Å-3

  • [Delta][rho]min = -0.98 e Å-3

Data collection: CAD-4 EXPRESS (Duisenberg, 1992[Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.]; Enraf-Nonius, 1994[Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.]; 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, 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: BR2072 ).

Acknowledgements

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

References

Bagieu-Beucher, M. & Tranqui, D. (1970). Bull. Soc. Fr. Mineral. Cristallogr. 93, 505-508.  [ChemPort]
Brandenburg, K. (2001). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [details]
Durif, A. (1971). Bull. Soc. Fr. Mineral. Cristallogr. 94, 314-318.  [ChemPort]
Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Hong, H. Y.-P. (1974). Acta Cryst. B30, 468-474.  [CrossRef] [ChemPort] [details]
Hong, H. Y.-P. & Pierce, J. W. (1974). Mater. Res. Bull. 9, 179-190.  [CrossRef] [ChemPort]
Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.  [CrossRef] [details]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]

Acta Cryst (2008). E64, i33  [ doi:10.1107/S1600536808013032 ]

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