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Volume 69 
Part 9 
Pages i54-i55  
September 2013  

Received 11 July 2013
Accepted 7 August 2013
Online 14 August 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](Mg-O) = 0.003 Å
Disorder in main residue
R = 0.021
wR = 0.053
Data-to-parameter ratio = 13.3
Details
Open access

Li0.5Al0.5Mg2(MoO4)3

aLaboratory of Materials and Crystallochemistry, Faculty of Science of Tunis, University of Tunis ElManar, 2092 ElManar II Tunis, Tunisia
Correspondence e-mail: faouzi.zid@fst.rnu.tn

The title compound, lithium/aluminium dimagnesium tetrakis[orthomolybdate(VI)], was prepared by a solid-state reaction route. The crystal structure is built up from MgO6 octahedra and MoO4 tetrahedra sharing corners and edges, forming two types of chains running along [100]. These chains are linked into layers parallel to (010) and finally linked by MoO4 tetrahedra into a three-dimensional framework structure with channels parallel to [001] in which lithium and aluminium cations equally occupy the same position within a distorted trigonal-bipyramidal coordination environment. The title structure is isotypic with LiMgIn(MoO4)3, with the In site becoming an Mg site and the fully occupied Li site a statistically occupied Li/Al site in the title structure.

Related literature

For complex oxides containing lithium ions, see: Whittingham & Silbernagel (1976[Whittingham, M. S. & Silbernagel, B. G. (1976). Mater. Res. Bull. 11, 29-36.]); Mizushima et al. (1980[Mizushima, K., Jones, P. C., Wiseman, P. J. & Goodenough, J. B. (1980). Mater. Res. Bull. 15, 783-789.]); Kanno et al. (1994[Kanno, R., Kubo, H., Kawamoto, Y., Kamiyama, T., Izumi, F., Takeda, Y. & Takano, M. (1994). J. Solid State Chem. 110, 216-225.]). For details of chemically and/or structurally related compounds, see: Efremov & Trunov (1972[Efremov, V. A. & Trunov, V. K. (1972). Zh. Neorg. Khim. 17, 2034-2039.]); Ozima & Zoltai (1976[Ozima, M. & Zoltai, T. (1976). J. Cryst. Growth, 34, 301-303.]); Klevtsov (1970[Klevtsov, P. V. (1970). Kristallografiya, 15, 797-802.]); Kolitsch & Tillmanns (2003[Kolitsch, U. & Tillmanns, E. (2003). Acta Cryst. E59, i55-i58.]); Tsyrenova et al. (2001[Tsyrenova, G. D., Solodovnikov, S. F., Khaikina, E. G. & Khobrakova, E. T. (2001). Russ. J. Inorg. Chem. 46, 1886-1889.], 2004[Tsyrenova, G. D., Solodovnikov, S. F., Khaikina, E. G., Khobrakova, E. T., Bazarova, Zh. G. & Solodovnikova, Z. A. (2004). J. Solid State Chem. 177, 2158-2167.]); Gicquel-Mayer et al. (1981[Gicquel-Mayer, C., Mayer, M. & Pérez, G. (1981). Acta Cryst. B37, 1035-1039.]); Klevtsova & Magarill (1970[Klevtsova, R. F. & Magarill, S. A. (1970). Kristallografiya, 15, 710-715.]); Klevtsov & Zolotova (1973[Klevtsov, P. V. & Zolotova, E. S. (1973). Izv. Akad. Nauk SSSR Neorg. Mater. 9, 79-82.]); Klevtsova et al. (1979[Klevtsova, R. F., Antonova, A. A. & Glinskaya, L. A. (1979). Kristallografiya, 24, 1043-1047.]); Nord & Kierkegaard (1984[Nord, A. G. & Kierkegaard, P. (1984). Chem. Scr. 24, 151-158.]); Solodovnikov et al. (1997[Solodovnikov, S. F., Zolotova, E. S. & Solodovnikova, Z. A. (1997). J. Struct. Chem. 38, 83-88.]). For the isotypic structure of LiMgIn(MoO4)3, see: Khazheeva et al. (1985[Khazheeva, Z. I., Mokhosoev, M. V., Smirnyagina, N. N., Kozhevnikova, N. M., Alekseev, F. P. & Simonov, V. I. (1985). Dokl. Akad. Nauk SSSR, 30, 734-735.]).

Experimental

Crystal data
  • Li0.5Al0.5Mg2(MoO4)3

  • Mr = 545.40

  • Triclinic, [P \overline 1]

  • a = 6.8555 (7) Å

  • b = 8.2910 (9) Å

  • c = 9.5760 (9) Å

  • [alpha] = 96.032 (7)°

  • [beta] = 106.743 (8)°

  • [gamma] = 101.824 (9)°

  • V = 502.27 (9) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 3.92 mm-1

  • T = 298 K

  • 0.20 × 0.18 × 0.11 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 = 0.520, Tmax = 0.648

  • 3450 measured reflections

  • 2187 independent reflections

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

  • Rint = 0.014

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

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.053

  • S = 1.29

  • 2187 reflections

  • 164 parameters

  • [Delta][rho]max = 0.57 e Å-3

  • [Delta][rho]min = -0.81 e Å-3

Table 1
Selected bond lengths (Å)

Mo1-O5i 1.721 (3)
Mo1-O12 1.745 (3)
Mo1-O1 1.781 (3)
Mo1-O2 1.812 (3)
Mo2-O3 1.738 (3)
Mo2-O6 1.743 (3)
Mo2-O11ii 1.763 (3)
Mo2-O10iii 1.807 (3)
Mo3-O9 1.718 (3)
Mo3-O4 1.736 (3)
Mo3-O7 1.777 (3)
Mo3-O8 1.812 (3)
Mg1-O2iv 1.968 (3)
Mg1-O11 1.974 (3)
Mg1-O8v 1.983 (3)
Mg1-O4 1.992 (3)
Mg1-O10iii 2.033 (3)
Mg1-O2v 2.104 (3)
Mg2-O12vi 2.042 (3)
Mg2-O1vii 2.045 (3)
Mg2-O9 2.046 (3)
Mg2-O5 2.049 (3)
Mg2-O6viii 2.049 (3)
Mg2-O7vi 2.121 (3)
Li1-O3ix 1.974 (4)
Li1-O7ix 2.009 (4)
Li1-O1 2.044 (4)
Li1-O8 2.070 (4)
Li1-O10vi 2.076 (4)
Symmetry codes: (i) x, y+1, z; (ii) x+1, y, z; (iii) x, y, z+1; (iv) x, y-1, z; (v) -x+1, -y+1, -z+2; (vi) -x+1, -y+1, -z+1; (vii) -x, -y+1, -z+1; (viii) -x+1, -y, -z+1; (ix) x-1, y, z.

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: WM2760 ).


References

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Klevtsov, P. V. & Zolotova, E. S. (1973). Izv. Akad. Nauk SSSR Neorg. Mater. 9, 79-82.  [ChemPort]
Kolitsch, U. & Tillmanns, E. (2003). Acta Cryst. E59, i55-i58.  [CrossRef] [ChemPort] [details]
Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.  [CrossRef] [ISI] [details]
Mizushima, K., Jones, P. C., Wiseman, P. J. & Goodenough, J. B. (1980). Mater. Res. Bull. 15, 783-789.  [CrossRef] [ChemPort] [ISI]
Nord, A. G. & Kierkegaard, P. (1984). Chem. Scr. 24, 151-158.  [ChemPort]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [details]
Ozima, M. & Zoltai, T. (1976). J. Cryst. Growth, 34, 301-303.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Solodovnikov, S. F., Zolotova, E. S. & Solodovnikova, Z. A. (1997). J. Struct. Chem. 38, 83-88.  [CrossRef] [ChemPort] [ISI]
Tsyrenova, G. D., Solodovnikov, S. F., Khaikina, E. G. & Khobrakova, E. T. (2001). Russ. J. Inorg. Chem. 46, 1886-1889.
Tsyrenova, G. D., Solodovnikov, S. F., Khaikina, E. G., Khobrakova, E. T., Bazarova, Zh. G. & Solodovnikova, Z. A. (2004). J. Solid State Chem. 177, 2158-2167.  [CrossRef] [ChemPort]
Whittingham, M. S. & Silbernagel, B. G. (1976). Mater. Res. Bull. 11, 29-36.


Acta Cryst (2013). E69, i54-i55   [ doi:10.1107/S1600536813022046 ]

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