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Volume 69 
Part 8 
Page i53  
August 2013  

Received 5 July 2013
Accepted 21 July 2013
Online 31 July 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](Al-O) = 0.004 Å
Disorder in main residue
R = 0.034
wR = 0.085
Data-to-parameter ratio = 11.7
Details
Open access

Na7Al3(As2O7)4

aLaboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis, Tunisia
Correspondence e-mail: n.f.bourguiba@live.fr

The title compound, heptasodium trialuminium tetrakis(diarsenate), has been isolated as single crystals from a solid-state reaction. Its structure, which is isotypic with that of the Na7Fe3(X2O7)4 (X = As, P) family of compounds, consists of AlO6 octahedra sharing their vertices with As2O7 groups, forming a three-dimensional [Al3(As2O7)4][infinity] framework incorporating channels occupied by the sodium ions. One of the aluminium ions lies on a crystallographic twofold axis. The sodium ions are situated over ten positions (one with site symmetry 2), all but one of which are partially occupied.

Related literature

For isotopic compounds, see: Masquelier & d'Yvoire (1991[Masquelier, C. & d'Yvoire, F. (1991). J. Solid State Chem. 95, 156-167.]); Masquelier et al. (1990[Masquelier, C., d'Yvoire, F. & Rodier, N. (1990). Acta Cryst. C46, 1584-1587.], 1994[Masquelier, C., d'Yvoire, F., Bretey, E., Berthet, P. & Peytour-Chansac, C. (1994). Solid State Ionics, 67, 183-189.]); Quarez et al.(2009[Quarez, E., Mentré, O., Oumellala, Y. & Masquelier, C. (2009). New J. Chem. 33, 998-1005.], 2010[Quarez, E., Mentré, O., Oumellala, Y. & Masquelier, C. (2010). New J. Chem. 34, 287-293.]). For bond lengths and angles in related structures, see: Driss & Jouini (1994[Driss, A. & Jouini, T. (1994). J. Solid State Chem. 112, 277-280.]); Masquelier et al. (1995[Masquelier, C., d'Yvoire, F. & Collin, G. (1995). J. Solid State Chem. 118, 33-44.]). For structural relationships, see: Lii et al. (1989[Lii, K. H., Chen, J. J. & Wang, S. L. (1989). J. Solid State Chem. 78, 178-183.]); Hwu & Willis (1991[Hwu, S.-J. & Willis, E. D. (1991). J. Solid State Chem. 93, 69-76.]); Boughzala et al. (1993)[Boughzala, H., Driss, A. & Jouini, T. (1993). Acta Cryst. C49, 425-427.]; Boughzala & Jouini (1995[Boughzala, H. & Jouini, T. (1995). Acta Cryst. C51, 179-181.]); Lin & Lii (1996[Lin, K.-J. & Lii, K.-H. (1996). Acta Cryst. C52, 2387-2389.]); Fukuoka et al. (2003[Fukuoka, H., Matsunaga, H. & Yamanaka, S. (2003). Mater. Res. Bull. 38, 991-1001.]); Ouerfelli et al. (2007[Ouerfelli, N., Guesmi, A., Mazza, D., Madani, A., Zid, M. F. & Driss, A. (2007). J. Solid State Chem. 180, 1224-1229.]). For bond-valence parameters, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]).

Experimental

Crystal data
  • Na7Al3(As2O7)4

  • Mr = 1289.23

  • Monoclinic, C 2/c

  • a = 9.800 (1) Å

  • b = 8.468 (1) Å

  • c = 28.637 (2) Å

  • [beta] = 94.14 (1)°

  • V = 2370.3 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 11.50 mm-1

  • T = 298 K

  • 0.25 × 0.20 × 0.10 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 = 0.759, Tmax = 0.891

  • 3958 measured reflections

  • 2583 independent reflections

  • 2150 reflections with I > 2[sigma](I)

  • Rint = 0.056

  • 2 standard reflections every 120 min intensity decay: 1.1%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.085

  • S = 1.10

  • 2583 reflections

  • 221 parameters

  • [Delta][rho]max = 1.27 e Å-3

  • [Delta][rho]min = -0.98 e Å-3

Table 1
Selected bond lengths (Å)

Al1-O12i 1.906 (4)
Al1-O12 1.906 (4)
Al1-O1ii 1.932 (4)
Al1-O1iii 1.932 (4)
Al1-O3 1.994 (4)
Al1-O3i 1.994 (4)
Al2-O14 1.920 (4)
Al2-O10iv 1.933 (4)
Al2-O7iv 1.942 (4)
Al2-O5 1.947 (4)
Al2-O9v 1.955 (4)
Al2-O6ii 2.000 (4)
As1-O2 1.651 (4)
As1-O1 1.676 (4)
As1-O3 1.689 (4)
As1-O4 1.776 (4)
As2-O13 1.638 (4)
As2-O14 1.675 (4)
As2-O12 1.686 (4)
As2-O4 1.769 (4)
As3-O7 1.668 (4)
As3-O5 1.671 (4)
As3-O6 1.677 (4)
As3-O11 1.736 (4)
As4-O8 1.646 (4)
As4-O10 1.676 (4)
As4-O9 1.679 (4)
As4-O11 1.760 (4)
Symmetry codes: (i) [-x, y, -z+{\script{1\over 2}}]; (ii) [x-{\script{1\over 2}}, y-{\script{1\over 2}}, z]; (iii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) -x+1, -y, -z+1; (v) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1].

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: HB7105 ).


References

Boughzala, H., Driss, A. & Jouini, T. (1993). Acta Cryst. C49, 425-427.  [CrossRef] [IUCr Journals]
Boughzala, H. & Jouini, T. (1995). Acta Cryst. C51, 179-181.  [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]
Driss, A. & Jouini, T. (1994). J. Solid State Chem. 112, 277-280.  [CrossRef] [ChemPort]
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]
Fukuoka, H., Matsunaga, H. & Yamanaka, S. (2003). Mater. Res. Bull. 38, 991-1001.  [CrossRef] [ChemPort]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Hwu, S.-J. & Willis, E. D. (1991). J. Solid State Chem. 93, 69-76.  [CrossRef] [ChemPort]
Lii, K. H., Chen, J. J. & Wang, S. L. (1989). J. Solid State Chem. 78, 178-183.  [CrossRef] [ChemPort]
Lin, K.-J. & Lii, K.-H. (1996). Acta Cryst. C52, 2387-2389.  [CrossRef] [IUCr Journals]
Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.  [CrossRef] [Web of Science] [IUCr Journals]
Masquelier, C. & d'Yvoire, F. (1991). J. Solid State Chem. 95, 156-167.  [CrossRef] [ChemPort]
Masquelier, C., d'Yvoire, F., Bretey, E., Berthet, P. & Peytour-Chansac, C. (1994). Solid State Ionics, 67, 183-189.  [CrossRef] [ChemPort]
Masquelier, C., d'Yvoire, F. & Collin, G. (1995). J. Solid State Chem. 118, 33-44.  [CrossRef] [ChemPort]
Masquelier, C., d'Yvoire, F. & Rodier, N. (1990). Acta Cryst. C46, 1584-1587.  [CrossRef] [IUCr Journals]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [IUCr Journals]
Ouerfelli, N., Guesmi, A., Mazza, D., Madani, A., Zid, M. F. & Driss, A. (2007). J. Solid State Chem. 180, 1224-1229.  [Web of Science] [CrossRef] [ChemPort]
Quarez, E., Mentré, O., Oumellala, Y. & Masquelier, C. (2009). New J. Chem. 33, 998-1005.  [CrossRef] [ChemPort]
Quarez, E., Mentré, O., Oumellala, Y. & Masquelier, C. (2010). New J. Chem. 34, 287-293.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, i53  [ doi:10.1107/S1600536813020151 ]

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