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Volume 69 
Part 5 
Pages i27-i28  
May 2013  

Received 21 March 2013
Accepted 29 March 2013
Online 10 April 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](P-O) = 0.002 Å
Disorder in solvent or counterion
R = 0.023
wR = 0.060
Data-to-parameter ratio = 11.0
Details
Open access

Na7Cr4(P2O7)4PO4

aLaboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis, Tunisia
Correspondence e-mail: faouzi.zid@fst.rnu.tn

The title compound, heptasodium tetrachromium(III) tetrakis(diphosphate) orthophosphate, was synthesized by solid-state reaction. Its structure is isotypic with that of Na7M4(P2O7)4PO4 (M = In, Al) compounds and is made up from a three-dimensional [(CrP2O7)4PO4]7- framework with channels running along [001]. The three Na+ cations are located in the voids of the framework. One of the cations is situated on a general position, one is equally disordered around a twofold rotation axis and one is on a fourfold rotoinversion axis. The isolated PO4 tetrahedron of the anionic framework is also situated on the -4 axis. Structural relationships between the title compound and different diphosphates containing MP2O11 units (M = Mo, V) are discussed.

Related literature

For isotopic compounds, see: Stus et al. (2001[Stus, N. V., Lisnyak, V. V. & Nagornyi, P. G. (2001). J. Alloys Compd, 314, 62-66.]); Zhao (2011[Zhao, D. (2011). Acta Cryst. E67, i64.]). For background to physico-chemical properties of related compouds, see: Sljukic et al. (1967[Sljukic, M., Matkovic, B., Prodic, B. & Scavnicar, S. (1967). Croat. Chem. Acta, 39, 145-148.]); Hagman & Kierkegaard (1968[Hagman, L. O. & Kierkegaard, P. (1968). Acta Chem. Scand. 2, 1822-1832.]); Goodenough et al. (1976[Goodenough, J. B., Hong, H. Y.-P. & Kafalas, J. A. (1976). Mater. Res. Bull. 11, 203-220.]); Sanz et al. (1999[Sanz, F., Parada, C., Rojo, J. M., Ruiz-Valero, C. & Saez-Puche, R. (1999). J. Solid State Chem. 145, 604-611.]); De la Rochère et al. (1985[De la Rochère, M., Khan, A., d'Yvoire, F. & Bretey, E. (1985). Mater. Res. Bull. 20, 27-34.]). For bond lengths and angles in related structures, see: Wang & Hwu (1991[Wang, S. & Hwu, S. J. (1991). J. Solid State Chem. 90, 31-41.]); Kouass et al. (2010[Kouass, S., Guesmi, A. & Driss, A. (2010). Acta Cryst. C66, i4-i6.]). For structural relationships, see: Zid et al. (2003[Zid, M. F., Driss, A. & Jouini, T. (2003). Acta Cryst. E59, i65-i67.]); Averbuch-Pouchot (1988[Averbuch-Pouchot, M. T. (1988). Acta Cryst. C44, 2046-2048.]); Benhamada et al. (1992[Benhamada, L., Grandin, A., Borel, M. M., Leclaire, A. & Raveau, B. (1992). J. Solid State Chem. 101, 154-160.]); Hwu et al. (1994[Hwu, S.-J., Caroll, R. I. & Serra, D. L. (1994). J. Solid State Chem. 110, 290-294.]); Capitelli et al. (2007[Capitelli, F., Dridi, N., Arbib, E. H., Valentini, V. & Mattei, G. (2007). Z. Kristallogr. 222, 521-526.]); Bohaty et al. (1982[Bohaty, L., Liebertz, J. & Fröhlich, R. (1982). Z. Kristallogr. 161, 53-59.]); Leclaire et al. (1988[Leclaire, A., Ben Moussa, A., Borel, M. M. & Grandin, A. (1988). J. Solid State Chem. 77, 299-305.], 1989[Leclaire, A., Borel, M. M. & Grandin, A. (1989). J. Solid State Chem. 78, 220-226.]); Moya-Pizarro et al. (1984[Moya-Pizarro, T., Salmon, R., Founes, L., Le Flem, G., Wanklyn, B. & Hagenmuller, P. (1984). J. Solid State Chem. 53, 387-397.]). For bond-valence parameters, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]).

Experimental

Crystal data
  • Na7Cr4(P2O7)4PO4

  • Mr = 1159.66

  • Tetragonal, [P \overline 42_1 c ]

  • a = 14.058 (2) Å

  • c = 6.3103 (8) Å

  • V = 1247.1 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.54 mm-1

  • T = 298 K

  • 0.24 × 0.16 × 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 = 0.61, Tmax = 0.75

  • 3276 measured reflections

  • 1349 independent reflections

  • 1277 reflections with I > 2[sigma](I)

  • Rint = 0.030

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

Refinement
  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.060

  • S = 1.12

  • 1349 reflections

  • 123 parameters

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.26 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1349 Friedel pairs

  • Flack parameter: -0.03 (2)

Table 1
Selected bond lengths (Å)

Cr1-O6 1.965 (2)
Cr1-O1i 1.967 (2)
Cr1-O8 1.972 (2)
Cr1-O3 1.973 (2)
Cr1-O2 1.977 (2)
Cr1-O4 1.993 (2)
P1-O6ii 1.496 (2)
P1-O1 1.515 (2)
P1-O4 1.518 (2)
P1-O7 1.593 (3)
P2-O5 1.496 (2)
P2-O2iii 1.514 (2)
P2-O3 1.523 (2)
P2-O7iv 1.620 (2)
P3-O8 1.545 (2)
Symmetry codes: (i) x, y, z-1; (ii) [y+{\script{1\over 2}}, x-{\script{1\over 2}}, z+{\script{1\over 2}}]; (iii) y, -x+1, -z; (iv) y, -x+1, -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: WM2734 ).


References

Averbuch-Pouchot, M. T. (1988). Acta Cryst. C44, 2046-2048.  [CrossRef] [details]
Benhamada, L., Grandin, A., Borel, M. M., Leclaire, A. & Raveau, B. (1992). J. Solid State Chem. 101, 154-160.  [CrossRef] [ChemPort] [ISI]
Bohaty, L., Liebertz, J. & Fröhlich, R. (1982). Z. Kristallogr. 161, 53-59.  [ChemPort]
Brandenburg, K. (1998). DIAMOND. University of Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [ISI] [details]
Capitelli, F., Dridi, N., Arbib, E. H., Valentini, V. & Mattei, G. (2007). Z. Kristallogr. 222, 521-526.  [CrossRef] [ChemPort]
De la Rochère, M., Khan, A., d'Yvoire, F. & Bretey, E. (1985). Mater. Res. Bull. 20, 27-34.
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [ISI] [details]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Goodenough, J. B., Hong, H. Y.-P. & Kafalas, J. A. (1976). Mater. Res. Bull. 11, 203-220.  [CrossRef] [ChemPort] [ISI]
Hagman, L. O. & Kierkegaard, P. (1968). Acta Chem. Scand. 2, 1822-1832.  [CrossRef]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Hwu, S.-J., Caroll, R. I. & Serra, D. L. (1994). J. Solid State Chem. 110, 290-294.  [CrossRef] [ChemPort] [ISI]
Kouass, S., Guesmi, A. & Driss, A. (2010). Acta Cryst. C66, i4-i6.  [CrossRef] [ChemPort] [details]
Leclaire, A., Ben Moussa, A., Borel, M. M. & Grandin, A. (1988). J. Solid State Chem. 77, 299-305.  [CrossRef] [ChemPort] [ISI]
Leclaire, A., Borel, M. M. & Grandin, A. (1989). J. Solid State Chem. 78, 220-226.  [CrossRef] [ChemPort] [ISI]
Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.  [CrossRef] [ISI] [details]
Moya-Pizarro, T., Salmon, R., Founes, L., Le Flem, G., Wanklyn, B. & Hagenmuller, P. (1984). J. Solid State Chem. 53, 387-397.  [ChemPort]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [details]
Sanz, F., Parada, C., Rojo, J. M., Ruiz-Valero, C. & Saez-Puche, R. (1999). J. Solid State Chem. 145, 604-611.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Sljukic, M., Matkovic, B., Prodic, B. & Scavnicar, S. (1967). Croat. Chem. Acta, 39, 145-148.  [ChemPort]
Stus, N. V., Lisnyak, V. V. & Nagornyi, P. G. (2001). J. Alloys Compd, 314, 62-66.  [ISI] [CrossRef] [ChemPort]
Wang, S. & Hwu, S. J. (1991). J. Solid State Chem. 90, 31-41.  [CrossRef] [ChemPort] [ISI]
Zhao, D. (2011). Acta Cryst. E67, i64.  [CrossRef] [details]
Zid, M. F., Driss, A. & Jouini, T. (2003). Acta Cryst. E59, i65-i67.  [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, i27-i28   [ doi:10.1107/S1600536813008726 ]

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