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Volume 69 
Part 4 
Pages i21-i22  
April 2013  

Received 8 March 2013
Accepted 20 March 2013
Online 28 March 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](In-O) = 0.002 Å
R = 0.017
wR = 0.041
Data-to-parameter ratio = 32.1
Details
Open access

Ammonium diphosphitoindate(III)

aLaboratoire Sciences des Matériaux, Faculté de Chimie, Université des Sciences et de la Technologie Houari Boumediene, BP 32 El-Alia, 16111 Bab-Ezzouar Alger, Algeria, and bEcole Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, Avenue du Général Leclerc CS 50837, 35708 Rennes Cedex 7, France
Correspondence e-mail: eric.le-fur@ensc-rennes.fr

The crystal structure of the title compound, NH4[In(HPO3)2], is built up from InIII cations (site symmetry 3m.) adopting an octahedral environment and two different phosphite anions (each with site symmetry 3m.) exhibiting a triangular-pyramidal geometry. Each InO6 octahedron shares its six apices with hydrogen phosphite groups. Reciprocally, each HPO3 group shares all its O atoms with three different metal cations, leading to [In(HPO3)2]- layers which propagate in the ab plane. The ammonium cation likewise has site symmetry 3m.. In the structure, the cations are located between the [In(HPO3)2]- layers of the host framework. The sheets are held together by hydrogen bonds formed between the NH4+ cations and the O atoms of the framework.

Related literature

For general background, see: Natarajan & Mandal (2008[Natarajan, S. & Mandal, S. (2008). Angew. Chem. Int. Ed. Engl. 47, 4798-4828.]); Marcos et al. (1993[Marcos, M. D., Amoros, P. & Le Bail, A. (1993). J. Solid State Chem. 107, 250-257.]). For related structures, see: Li et al. (2013[Li, H., Zhang, L., Huo, Q. & Liu, Y. (2013). J. Solid State Chem. 197, 75-80.]); Hamchaoui et al. (2013[Hamchaoui, F., Alonzo, V., Venegas-Yazigi, D., Rebbah, H. & Le Fur, E. (2013). J. Solid State Chem. 198, 295-302.]); Giester (2000[Giester, G. (2000). J. Alloys Compd, 308, 71-76.]); Graeber & Rosenzweig (1971[Graeber, E. J. & Rosenzweig, A. (1971). Am. Mineral. 56, 1917-1933.]). For potential applications of open-framework transition metal phosphates, see: Cheetham et al. (1999[Cheetham, A. K., Férey, G. & Loiseau, T. (1999). Angew. Chem. Int. Ed. Engl. 38, 3268-3292.]). For the synthesis of the first organically templated vanadium phosphite with an open framework, see: Bonavia et al. (1995[Bonavia, G., DeBord, J., Haushalter, R. C., Rose, D. & Zubieta, J. (1995). Chem. Mater. 7, 1995-1998.]). Structures of purely inorganic phosphite compounds have been evidenced with magnetic and non-magnetic cations (Marcos et al., 1993[Marcos, M. D., Amoros, P. & Le Bail, A. (1993). J. Solid State Chem. 107, 250-257.]; Morris et al., 1994[Morris, R. E., Attfield, M. P. & Cheetham, A. K. (1994). Acta Cryst. C50, 473-476.]; Orive et al., 2011[Orive, J., Mesa, J. L., Balda, R., Fernandez, J., Rodriguez Fernández, J., Rojo, T. & Arriortua, M. I. (2011). Inorg. Chem. 50, 12463-12476.]) while closely related structures can be obtained by replacing organic cations by inorganic ones as observed in the AxMn3(HPO3)4 system [A = en (Fernández et al., 2000[Fernández, S., Mesa, J. L., Pizarro, J. L., Lezama, L., Arriortua, M. I., Olazcuaga, R. & Rojo, T. (2000). Chem. Mater. 12, 2092-2098.]); A = K (Hamchaoui et al., 2009[Hamchaoui, F., Alonzo, V., Roisnel, T., Rebbah, H. & Le Fur, E. (2009). Acta Cryst. C65, i33-i35.])].

Experimental

Crystal data
  • NH4[In(HPO3)2]

  • Mr = 292.82

  • Hexagonal, P 63 m c

  • a = 5.4705 (1) Å

  • c = 13.0895 (4) Å

  • V = 339.24 (1) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 3.93 mm-1

  • T = 293 K

  • 0.10 × 0.05 × 0.02 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2002)[Sheldrick, G. M. (2002). SADABS. University of Göttingen, Germany.] Tmin = 0.66, Tmax = 0.92

  • 7774 measured reflections

  • 962 independent reflections

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

  • Rint = 0.024

Refinement
  • R[F2 > 2[sigma](F2)] = 0.017

  • wR(F2) = 0.041

  • S = 1.26

  • 962 reflections

  • 30 parameters

  • 5 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.51 e Å-3

  • [Delta][rho]min = -1.39 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 459 Friedel pairs

  • Flack parameter: -0.01 (2)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-HN1...O1 0.86 (2) 2.38 (2) 3.066 (2) 138 (2)
N1-HN1...O1i 0.86 (2) 2.38 (2) 3.066 (2) 138 (2)
N1-HN2...O2ii 0.89 (1) 2.41 (1) 3.109 (4) 135 (1)
N1-HN2...O2iii 0.89 (1) 2.41 (1) 3.109 (4) 135 (1)
N1-HN2...O2iv 0.89 (1) 2.41 (1) 3.109 (4) 135 (1)
N1-HN2...O2v 0.89 (1) 2.41 (1) 3.109 (4) 135 (1)
Symmetry codes: (i) -x+y-1, -x, z; (ii) [x-y, x, z-{\script{1\over 2}}]; (iii) [-x-1, -y, z-{\script{1\over 2}}]; (iv) [y-1, -x+y-1, z-{\script{1\over 2}}]; (v) [y-1, x, z-{\script{1\over 2}}].

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: DIRAX/LSQ (Duisenberg, 1992[Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.]); data reduction: EVALCCD (Duisenberg, 1998[Duisenberg, A. J. M. (1998). Thesis, Utrecht University, The Netherlands.]); program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg, 2005[Brandenburg, K. (2005). DIAMOND. Crystal Impact GbR, 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: RU2050 ).


Acknowledgements

This work was supported by the Algerian-French program CMEP-PHC Tassili 10 MDU 819. The authors are indebted to T. Roisnel for the data collection at the Centre de Diffractométrie des Rayons X (CDIFX).

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [ISI] [CrossRef] [ChemPort] [details]
Bonavia, G., DeBord, J., Haushalter, R. C., Rose, D. & Zubieta, J. (1995). Chem. Mater. 7, 1995-1998.  [CrossRef] [ChemPort] [ISI]
Brandenburg, K. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Cheetham, A. K., Férey, G. & Loiseau, T. (1999). Angew. Chem. Int. Ed. Engl. 38, 3268-3292.  [CrossRef] [PubMed] [ChemPort]
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [ISI] [details]
Duisenberg, A. J. M. (1998). Thesis, Utrecht University, The Netherlands.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Fernández, S., Mesa, J. L., Pizarro, J. L., Lezama, L., Arriortua, M. I., Olazcuaga, R. & Rojo, T. (2000). Chem. Mater. 12, 2092-2098.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Giester, G. (2000). J. Alloys Compd, 308, 71-76.  [CrossRef] [ChemPort]
Graeber, E. J. & Rosenzweig, A. (1971). Am. Mineral. 56, 1917-1933.  [ChemPort]
Hamchaoui, F., Alonzo, V., Roisnel, T., Rebbah, H. & Le Fur, E. (2009). Acta Cryst. C65, i33-i35.  [CrossRef] [details]
Hamchaoui, F., Alonzo, V., Venegas-Yazigi, D., Rebbah, H. & Le Fur, E. (2013). J. Solid State Chem. 198, 295-302.  [CrossRef] [ChemPort]
Li, H., Zhang, L., Huo, Q. & Liu, Y. (2013). J. Solid State Chem. 197, 75-80.  [CrossRef] [ChemPort]
Marcos, M. D., Amoros, P. & Le Bail, A. (1993). J. Solid State Chem. 107, 250-257.  [CrossRef] [ChemPort] [ISI]
Morris, R. E., Attfield, M. P. & Cheetham, A. K. (1994). Acta Cryst. C50, 473-476.  [CrossRef] [details]
Natarajan, S. & Mandal, S. (2008). Angew. Chem. Int. Ed. Engl. 47, 4798-4828.  [ISI] [CrossRef] [PubMed] [ChemPort]
Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Orive, J., Mesa, J. L., Balda, R., Fernandez, J., Rodriguez Fernández, J., Rojo, T. & Arriortua, M. I. (2011). Inorg. Chem. 50, 12463-12476.  [CrossRef] [ChemPort] [PubMed]
Sheldrick, G. M. (2002). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, i21-i22   [ doi:10.1107/S160053681300771X ]

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