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Volume 69 
Part 10 
Pages i65-i66  
October 2013  

Received 2 September 2013
Accepted 11 September 2013
Online 21 September 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](As-O) = 0.004 Å
Disorder in main residue
R = 0.026
wR = 0.068
Data-to-parameter ratio = 10.0
Details
Open access

[beta]-Xenophyllite-type Na4Li0.62Co5.67Al0.71(AsO4)6

aLaboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis ElManar, 2092 Manar II Tunis, Tunisia
Correspondence e-mail: faouzi.zid@fst.rnu.tn

The title compound, tetrasodium lithium cobalt aluminium hexa(orthoarsenate), was synthesized by a solid state reaction route. In the crystal structure, Co2+ ions are partially substituted by Al3+ in an octahedral environment [M1 with site symmetry 2/m; occupancy ratio Co:Al = 0.286 (10):0.714 (10)]. The charge compensation is ensured by Li+ cations sharing a tetrahedral site with Co2+ ions [M2 with site symmetry 2; occupancy ratio Co:Li = 0.690 (5):0.310 (5)]. The anionic unit is formed by two octahedra and three tetrahedra linked only by corners. The CoM1M2As2O19 units associate to an open three-dimensional framework containing tunnels propagating along the a-axis direction. One Na+ cation is located in the periphery of the tunnels while the other two are situated in the centres: all Na+ cations exhibit half-occupancy. The structure of the studied material is compared with those of various related minerals reported in the literature.

Related literature

For applications of these and related phases, see: Aurivillius et al. (1964[Aurivillius, B., Lindblom, C. I. & Stenson, P. (1964). Acta Chem. Scand. 18, 1555-1557.]); Nagpure et al. (2010[Nagpure, M., Shinde, K. N., Kumar, V., Ntwaeaborwa, O. M., Dhoble, S. J. & Swart, H. C. (2010). J. Alloys Compd, 492, 384-388.]); Prabaharan et al. (1997[Prabaharan, S. R. S., Michael, M. S., Radhakrishna, S. & Julien, C. (1997). J. Mater. Chem. 7, 1791-1796.]). For details of structurally related compounds, see: Alvarez-Vega et al. (2006[Alvarez-Vega, M., Gallardo-Amores, J. M., Garcia-Alvarado, F. & Amador, U. (2006). Solid State Sci. 8, 952-957.]); Keller et al. (1981[Keller, P., Riffel, H., Zettler, F. & Hess, H. (1981). Z. Anorg. Allg. Chem. 474, 123-134.]); Frigui et al. (2012[Frigui, W., Zid, M. F. & Driss, A. (2012). Acta Cryst. E68, i40-i41.]); Goodenough et al. (1976[Goodenough, J. B., Borel, H., Hong, Y.-P. & Kafalas, T. A. (1976). Mater. Res. Bull. 11, 203-220.]); Marzouki et al. (2012[Marzouki, R., Guesmi, A., Zid, M. F. & Driss, A. (2012). Cryst. Struct. Theor. Appl. 1, 68-73.]); Ben Smida et al. (2013[Ben Smida, Y., Guesmi, A. & Driss, A. (2013). Acta Cryst. E69, i39.]); Guesmi & Driss (2012[Guesmi, A. & Driss, A. (2012). Acta Cryst. E68, i58.]); Moring & Kostiner (1986[Moring, J. & Kostiner, E. (1986). J. Solid State Chem. 62, 105-111.]); Kobashi et al. (1998[Kobashi, D., Kohara, S., Yamakawa, J. & Kawahara, A. (1998). Acta Cryst. C54, 7-9.]); Ben Smail et al. (1999[Ben Smail, R., Driss, A. & Jouini, T. (1999). Acta Cryst. C55, 284-286.]); Burke et al. (2006[Burke, E. A. J., Ferraris, G. & Hatert, F. (2006). New minerals approved in 2006. Nomenclature modifications approved in 2006 by the Commission on New Minerals, Nomenclature and Classification, International Mineralogical Association. http://pubsites.uws.edu.au/ima-cnmnc/minerals2006 .pdf]); Redhammer et al. (2005[Redhammer, G. J., Tippelt, G., Bernroider, M., Lottermoser, W., Amthauer, G. & Roth, G. (2005). Eur. J. Mineral. 17, 915-932.]); Hatert et al. (2005[Hatert, F., Lefevre, P., Fransolet, A. M., Spirlet, M.-R., Rebbouh, L., Fontan, F. & Keller, P. (2005). Eur. J. Mineral. 17, 749-759.]); Moore & Molin-Case (1974[Moore, P. B. & Molin-Case, J. (1974). Am. Mineral. 59, 280-290.]). For the bond-valence method, see: Brown & Altermatt, (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]).

Experimental

Crystal data
  • Na4Li0.62Co5.67Al0.71(AsO4)6

  • Mr = 1283.06

  • Monoclinic, C 2/m

  • a = 10.7444 (9) Å

  • b = 14.847 (2) Å

  • c = 6.7223 (8) Å

  • [beta] = 105.51 (2)°

  • V = 1033.3 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 14.22 mm-1

  • T = 298 K

  • 0.26 × 0.24 × 0.22 mm

Data collection
  • Enraf-Nonius CAD-4 diffractometer

  • Absorption correction: [psi] scan (North et al., 1968[North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.]) Tmin = 0.033, Tmax = 0.042

  • 1615 measured reflections

  • 1174 independent reflections

  • 1048 reflections with I > 2[sigma](I)

  • Rint = 0.027

  • 2 standard reflections every 120 min intensity decay: 1.4%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.068

  • S = 1.13

  • 1174 reflections

  • 117 parameters

  • 2 restraints

  • [Delta][rho]max = 0.87 e Å-3

  • [Delta][rho]min = -0.87 e Å-3

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, 1998[Brandenburg, K. (1998). DIAMOND. University of Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: VN2076 ).


References

Alvarez-Vega, M., Gallardo-Amores, J. M., Garcia-Alvarado, F. & Amador, U. (2006). Solid State Sci. 8, 952-957.  [ChemPort]
Aurivillius, B., Lindblom, C. I. & Stenson, P. (1964). Acta Chem. Scand. 18, 1555-1557.  [CrossRef] [ChemPort]
Ben Smail, R., Driss, A. & Jouini, T. (1999). Acta Cryst. C55, 284-286.  [CrossRef] [IUCr Journals]
Ben Smida, Y., Guesmi, A. & Driss, A. (2013). Acta Cryst. E69, i39.  [CrossRef] [IUCr Journals]
Brandenburg, K. (1998). DIAMOND. University of Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [Web of Science] [IUCr Journals]
Burke, E. A. J., Ferraris, G. & Hatert, F. (2006). New minerals approved in 2006. Nomenclature modifications approved in 2006 by the Commission on New Minerals, Nomenclature and Classification, International Mineralogical Association. http://pubsites.uws.edu.au/ima-cnmnc/minerals2006 .pdf
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [Web of Science] [IUCr Journals]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Frigui, W., Zid, M. F. & Driss, A. (2012). Acta Cryst. E68, i40-i41.  [CrossRef] [ChemPort] [IUCr Journals]
Goodenough, J. B., Borel, H., Hong, Y.-P. & Kafalas, T. A. (1976). Mater. Res. Bull. 11, 203-220.  [CrossRef] [ChemPort] [Web of Science]
Guesmi, A. & Driss, A. (2012). Acta Cryst. E68, i58.  [CrossRef] [IUCr Journals]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Hatert, F., Lefevre, P., Fransolet, A. M., Spirlet, M.-R., Rebbouh, L., Fontan, F. & Keller, P. (2005). Eur. J. Mineral. 17, 749-759.  [Web of Science] [CrossRef] [ChemPort]
Keller, P., Riffel, H., Zettler, F. & Hess, H. (1981). Z. Anorg. Allg. Chem. 474, 123-134.  [CrossRef] [ChemPort]
Kobashi, D., Kohara, S., Yamakawa, J. & Kawahara, A. (1998). Acta Cryst. C54, 7-9.  [CrossRef] [IUCr Journals]
Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.  [CrossRef] [Web of Science] [IUCr Journals]
Marzouki, R., Guesmi, A., Zid, M. F. & Driss, A. (2012). Cryst. Struct. Theor. Appl. 1, 68-73.  [CrossRef]
Moore, P. B. & Molin-Case, J. (1974). Am. Mineral. 59, 280-290.  [ChemPort]
Moring, J. & Kostiner, E. (1986). J. Solid State Chem. 62, 105-111.  [CrossRef] [ChemPort] [Web of Science]
Nagpure, M., Shinde, K. N., Kumar, V., Ntwaeaborwa, O. M., Dhoble, S. J. & Swart, H. C. (2010). J. Alloys Compd, 492, 384-388.  [Web of Science] [CrossRef] [ChemPort]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [IUCr Journals]
Prabaharan, S. R. S., Michael, M. S., Radhakrishna, S. & Julien, C. (1997). J. Mater. Chem. 7, 1791-1796.  [CrossRef] [ChemPort] [Web of Science]
Redhammer, G. J., Tippelt, G., Bernroider, M., Lottermoser, W., Amthauer, G. & Roth, G. (2005). Eur. J. Mineral. 17, 915-932.  [Web of Science] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, i65-i66   [ doi:10.1107/S1600536813025233 ]

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