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Volume 64 
Part 6 
Page i36  
June 2008  

Received 30 January 2008
Accepted 14 May 2008
Online 21 May 2008


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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](As-O) = 0.003 Å
Disorder in solvent or counterion
R = 0.023
wR = 0.061
Data-to-parameter ratio = 11.5
Details

The alluaudite-like arsenate NaCaMg3(AsO4)3

Anissa Haj Abdallaha* and Amor Haddada

aLaboratoire de Matériaux et Cristallochime, Institut Supérieur des Sciences Appliquées et Technologie de Mahdia, Avenue El Mourouj, Sidi Messoud 5111 Hiboun, Mahdia, Tunisia
Correspondence e-mail: haj_anissa@yahoo.fr

The title compound, sodium calcium trimagnesium tris(arsenate), an alluaudite-like arsenate, was prepared by solid-state reaction at high temperature. The structure is built up from edge-sharing MgO6 octahedra in chains associated with the AsO4 arsenate groups. The three-dimensional network leads to two different tunnels occupied statistically by Na+ and Ca2+. One As and one Mg atom lie on twofold rotation axes; one Na and one Ca are disordered over two sites with occupancies of 0.7 and 0.3 and these sites lie on a twofold rotation axis and an inversion centre, respectively.

Related literature

For the alluaudite structure type, see: Moore (1971[Moore, P. B. (1971). Am. Mineral. 56, 1955-1975.]); Yakubovitch et al. (1977[Yakubovitch, O. V., Simonov, M. A., Egorov-Tismenko, Y. K. & Belov, N. V. (1977). Dokl. Akad. Nauk SSSR, 236, 1123-1130.]); Cu1.35Fe(PO4)3 (Warner et al., 1993[Warner, T., Milius, W. & Maier, J. (1993). J. Solid State Chem. 106, 301-309.]); NaFe3.67(PO4)3 (Korzenski et al., 1998[Korzenski, M. B., Schimek, G. L., Kolis, J. W. & Long, G. J. (1998). J. Solid State Chem. 139, 152-160.]). For related alluaudite-like arsenates, see: NaCo3(AsO4)(HAsO4)2 (Kwang-Hwa & Pei-Fen, 1994[Kwang-Hwa, L. & Pei- Fen, S. (1994). Inorg. Chem. 33, 3028-3031.]); NaCaCdMg2(AsO4)3 (Khorari et al., 1997[Khorari, S., Rulmont, A., Tarte, P., Miehe, G., Antenucci, D. & Gilbert, B. (1997). J. Solid State Chem. 131, 298-304.]); Ag1.49Mn1.49Mn2(AsO4)3 (Ayed et al., 2002[Ayed, B., Krifa, M. & Haddad, A. (2002). Acta Cryst. C58, i98-i100.]); Na1.72 Mn3.28(AsO4)3 (Brahim et al. 2003[Brahim, A. & Amor, H. (2003). Acta Cryst. E59, i77-i79.]). For related literature, see: Leroux et al. (1995[Leroux, F., Mar, A., Payen, C., Guyomard, D., Verbaere, A. & Piffard, Y. (1995). J. Solid State Chem. 115, 240-246.]).

Experimental

Crystal data

  • NaCaMg3(AsO4)3

  • Mr = 552.74

  • Monoclinic, C 2/c

  • a = 11.880 (1) Å

  • b = 12.817 (1) Å

  • c = 6.741 (2) Å

  • [beta] = 112.45 (1)°

  • V = 948.7 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 11.36 mm-1

  • T = 293 (2) K

  • 0.6 × 0.2 × 0.15 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 = 0.110, Tmax = 0.180

  • 1358 measured reflections

  • 1154 independent reflections

  • 1133 reflections with I > 2[sigma](I)

  • Rint = 0.021

  • 2 standard reflections frequency: 120 min intensity decay: 0.4%
Refinement

  • R[F2 > 2[sigma](F2)] = 0.022

  • wR(F2) = 0.060

  • S = 1.29

  • 1154 reflections

  • 100 parameters

  • [Delta][rho]max = 0.99 e Å-3

  • [Delta][rho]min = -1.00 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: MolEN (Fair, 1990[Fair, C. K. (1990). MolEN. Enraf-Nonius, Delft, The Netherlands.]); program(s) used to solve structure: SHELXS86 (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: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2069 ).

References

Ayed, B., Krifa, M. & Haddad, A. (2002). Acta Cryst. C58, i98-i100.  [CrossRef] [details]
Brahim, A. & Amor, H. (2003). Acta Cryst. E59, i77-i79.  [CrossRef] [details]
Brandenburg, K. (1998). DIAMOND. University of Bonn, Germany.
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [details]
Fair, C. K. (1990). MolEN. Enraf-Nonius, Delft, The Netherlands.
Khorari, S., Rulmont, A., Tarte, P., Miehe, G., Antenucci, D. & Gilbert, B. (1997). J. Solid State Chem. 131, 298-304.  [CrossRef] [ChemPort]
Korzenski, M. B., Schimek, G. L., Kolis, J. W. & Long, G. J. (1998). J. Solid State Chem. 139, 152-160.  [CrossRef] [ChemPort]
Kwang-Hwa, L. & Pei- Fen, S. (1994). Inorg. Chem. 33, 3028-3031.
Leroux, F., Mar, A., Payen, C., Guyomard, D., Verbaere, A. & Piffard, Y. (1995). J. Solid State Chem. 115, 240-246.  [CrossRef] [ChemPort]
Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.  [CrossRef] [details]
Moore, P. B. (1971). Am. Mineral. 56, 1955-1975.  [ChemPort]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Warner, T., Milius, W. & Maier, J. (1993). J. Solid State Chem. 106, 301-309.  [CrossRef] [ChemPort]
Yakubovitch, O. V., Simonov, M. A., Egorov-Tismenko, Y. K. & Belov, N. V. (1977). Dokl. Akad. Nauk SSSR, 236, 1123-1130.

Acta Cryst (2008). E64, i36  [ doi:10.1107/S1600536808014633 ]

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