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Volume 69 
Part 9 
Page i60  
September 2013  

Received 8 August 2013
Accepted 16 August 2013
Online 23 August 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](P-O) = 0.002 Å
R = 0.020
wR = 0.055
Data-to-parameter ratio = 15.3
Details
Open access

BaMnII2MnIII(PO4)3

aLaboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat, Morocco
Correspondence e-mail: g_alhakmi@yahoo.fr

The title compound, barium trimanganese tris(orthophosphate), was synthesized hydrothermally. Its structure is isotypic with the lead and strontium analogues AMnII2MnIII(PO4)3 (A = Pb, Sr). Except for two O atoms on general positions, all atoms are located on special positions. The Ba and one P atom exhibit mm2 symmetry, the MnII atom 2/m symmetry, the MnIII atom and the other P atom .2. symmetry and two O atoms are located on mirror planes. The crystal structure contains two types of chains running parallel to [010]. One chain is linear and is composed of alternating MnIIIO6 octahedra and PO4 tetrahedra sharing vertices; the other chain has a zigzag arrangement and is built up from two edge-sharing MnIIO6 octahedra connected to PO4 tetrahedra by edges and vertices. The two types of chains are linked through PO4 tetrahedra into an open three-dimensional framework which contains channels parallel to [100] and [010] in which the BaII ions are located. The alkaline earth cation is surrounded by eight O atoms in the form of a slightly distorted bicapped trigonal prism.

Related literature

For the isotypic lead and strontium analogues, see: Alhakmi et al. (2013a[Alhakmi, G., Assani, A., Saadi, M. & El Ammari, L. (2013a). Acta Cryst. E69, i40.]) and (2013b[Alhakmi, G., Assani, A., Saadi, M., Follet, C. & El Ammari, L. (2013b). Acta Cryst. E69, i56.]), respectively. For related structures, see: Adam et al. (2009[Adam, L., Guesdon, A. & Raveau, B. (2009). J. Solid State Chem. 182, 2338-2343.]); Assani et al. (2011a[Assani, A., El Ammari, L., Zriouil, M. & Saadi, M. (2011a). Acta Cryst. E67, i41.],b[Assani, A., El Ammari, L., Zriouil, M. & Saadi, M. (2011b). Acta Cryst. E67, i40.]). For bond-valence analysis, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]). For the by- product phase, see: Moore & Araki (1973[Moore, P. B. & Araki, T. (1973). Am. Mineral. 58, 302-307.]).

Experimental

Crystal data
  • BaMn3(PO4)3

  • Mr = 587.07

  • Orthorhombic, I m m a

  • a = 10.3038 (7) Å

  • b = 14.0163 (11) Å

  • c = 6.7126 (4) Å

  • V = 969.44 (12) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 8.39 mm-1

  • T = 296 K

  • 0.29 × 0.17 × 0.13 mm

Data collection
  • Bruker X8 APEX diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2009[Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.164, Tmax = 0.376

  • 3968 measured reflections

  • 811 independent reflections

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

  • Rint = 0.032

Refinement
  • R[F2 > 2[sigma](F2)] = 0.020

  • wR(F2) = 0.055

  • S = 1.09

  • 811 reflections

  • 53 parameters

  • [Delta][rho]max = 1.86 e Å-3

  • [Delta][rho]min = -0.78 e Å-3

Data collection: APEX2 (Bruker, 2009[Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2009[Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2767 ).


Acknowledgements

The authors thank the Unit of Support for Technical and Scientific Research (UATRS, CNRST) for the X-ray measurements.

References

Adam, L., Guesdon, A. & Raveau, B. (2009). J. Solid State Chem. 182, 2338-2343.  [ISI] [CrossRef] [ChemPort]
Alhakmi, G., Assani, A., Saadi, M. & El Ammari, L. (2013a). Acta Cryst. E69, i40.  [CrossRef] [details]
Alhakmi, G., Assani, A., Saadi, M., Follet, C. & El Ammari, L. (2013b). Acta Cryst. E69, i56.  [CrossRef] [details]
Assani, A., El Ammari, L., Zriouil, M. & Saadi, M. (2011a). Acta Cryst. E67, i41.  [CrossRef] [details]
Assani, A., El Ammari, L., Zriouil, M. & Saadi, M. (2011b). Acta Cryst. E67, i40.  [CrossRef] [details]
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [ISI] [details]
Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Moore, P. B. & Araki, T. (1973). Am. Mineral. 58, 302-307.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, i60  [ doi:10.1107/S1600536813023106 ]

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