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Volume 64 
Part 8 
Page i48  
August 2008  

Received 23 June 2008
Accepted 14 July 2008
Online 19 July 2008


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Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](Lu-O) = 0.005 Å
R = 0.033
wR = 0.061
Data-to-parameter ratio = 26.2
Details

A new polymorph of Lu(PO3)3

Anis Bejaoui,a 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

A new polymorph of lutetium polyphosphate, Lu(PO3)3, was found to be isotypic with the trigonal form of Yb(PO3)3. Two of the three Lu atoms occupy special positions (Wyckoff positions 3a and 3b, site symmetry [\overline{3}]). The atomic arrangement consists of infinite helical polyphosphate chains running along the c axis, with a repeat period of 12 PO4 tetrahedra, joined with LuO6 octahedra.

Related literature

For syntheses and optical properties, see: Briche et al. (2006[Briche, S., Zambon, D., Boyer, D., Chadeyron, G. & Mahiou, R. (2006). Opt. Mater. 28, 615-620.]); Jouini, Férid, Gacon, Grosvalet et al. (2003[Jouini, A., Férid, M., Gacon, J. C., Grosvalet, L., Thozet, A. & Trabelsi-Ayadi, M. (2003). Mater. Res. Bull. 38, 1613-1622.]); Jouini, Férid, Gacon & Trabelsi-Ayadi (2003[Jouini, A., Férid, M., Gacon, J. C. & Trabelsi-Ayadi, M. (2003). Opt. Mater. 24, 175-180.]); Ternane et al. (2005[Ternane, R., Férid, M., Panczer, G., Trabelsi-Ayadi, M. & Boulon, G. (2005). Opt. Mater. 27, 1832-1838.]); Graia et al. (2003[Graia, M., Driss, A. & Jouini, T. (2003). Solid State Sci. 5, 393-402.]); Anisimova et al. (1992[Anisimova, N. Y., Trunov, V. K., Karamanovskaya, N. B. & Chudinova, N. N. (1992). Neorg. Mater. 28, 441-444.]). For the monoclinic polymorph of Lu(PO3)3, see: Höppe & Sedlmaier (2007[Höppe, H. A. & Sedlmaier, S. J. (2007). Inorg. Chem. 46, 3467-3474.]); Yuan et al. (2008[Yuan, J. L., Zhang, H., Zhao, J. T., Chen, H. H., Yang, X. X. & Zhang, G. B. (2008). Opt. Mater. 30, 1369-1374.]).

Experimental

Crystal data

  • Lu(PO3)3

  • Mr = 411.88

  • Trigonal, [R \overline 3]

  • a = 20.9106 (6) Å

  • c = 12.0859 (7) Å

  • V = 4576.6 (3) Å3

  • Z = 24

  • Mo K[alpha] radiation

  • [mu] = 13.59 mm-1

  • T = 100 (2) K

  • 0.18 × 0.18 × 0.17 mm
Data collection

  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.102, Tmax = 0.104

  • 25139 measured reflections

  • 4170 independent reflections

  • 3609 reflections with I > 2[sigma](I)

  • Rint = 0.054
Refinement

  • R[F2 > 2[sigma](F2)] = 0.032

  • wR(F2) = 0.060

  • S = 1.05

  • 4170 reflections

  • 159 parameters

  • [Delta][rho]max = 2.34 e Å-3

  • [Delta][rho]min = -2.07 e Å-3

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: APEX2; data reduction: APEX2; 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: FI2065 ).

Acknowledgements

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

References

Anisimova, N. Y., Trunov, V. K., Karamanovskaya, N. B. & Chudinova, N. N. (1992). Neorg. Mater. 28, 441-444.  [ChemPort]
Brandenburg, K. (2001). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Briche, S., Zambon, D., Boyer, D., Chadeyron, G. & Mahiou, R. (2006). Opt. Mater. 28, 615-620.  [CrossRef] [ChemPort]
Bruker (2005). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Graia, M., Driss, A. & Jouini, T. (2003). Solid State Sci. 5, 393-402.  [CrossRef] [ChemPort]
Höppe, H. A. & Sedlmaier, S. J. (2007). Inorg. Chem. 46, 3467-3474.  [PubMed]
Jouini, A., Férid, M., Gacon, J. C., Grosvalet, L., Thozet, A. & Trabelsi-Ayadi, M. (2003). Mater. Res. Bull. 38, 1613-1622.  [CrossRef] [ChemPort]
Jouini, A., Férid, M., Gacon, J. C. & Trabelsi-Ayadi, M. (2003). Opt. Mater. 24, 175-180.  [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Ternane, R., Férid, M., Panczer, G., Trabelsi-Ayadi, M. & Boulon, G. (2005). Opt. Mater. 27, 1832-1838.  [CrossRef] [ChemPort]
Yuan, J. L., Zhang, H., Zhao, J. T., Chen, H. H., Yang, X. X. & Zhang, G. B. (2008). Opt. Mater. 30, 1369-1374.  [CrossRef] [ChemPort]

Acta Cryst (2008). E64, i48  [ doi:10.1107/S1600536808021995 ]

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