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Volume 69 
Part 1 
Page i2  
January 2013  

Received 21 October 2012
Accepted 5 December 2012
Online 12 December 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](P-O) = 0.002 Å
R = 0.030
wR = 0.086
Data-to-parameter ratio = 13.1
Details
Open access

[beta]-K(VO2)2(PO4)

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

A new vanadium oxide, potassium bis(dioxovanadyl) phosphate, [beta]-K(VO2)2(PO4), has been synthesized by a solid-state reaction. In the title compound, the [V2PO8] framework is built up from infinite pyramidal [V2O8][infinity] and [VPO7][infinity] chains linked together by V-O-P bridges, leading to a three-dimensional framework which delimits two types of intersecting tunnels running along [100] and [010] in which the four unique K+ ions, showing coordination numbers of nine and ten, are located.

Related literature

For [alpha]-K(VO2)2(PO4), see: Berrah et al. (1999[Berrah, F., Borel, M. M., Leclaire, A., Daturi, M. & Raveau, B. (1999). J. Solid State Chem. 145, 643-648.]). For background to the physico-chemical properties of related compounds, see: Daidouh et al. (1997[Daidouh, A., Veiga, M. L. & Pico, C. (1997). J. Solid State Chem. 130, 28-34.]); Pierini & Lombardo (2005[Pierini, B. T. & Lombardo, E. A. (2005). Mater. Chem. Phys. 92, 197-204.]). For details of structurally related compounds, see: Leclaire & Raveau (2006[Leclaire, A. & Raveau, B. (2006). J. Solid State Chem. 179, 205-211.]); Amoros & Le Bail (1992[Amoros, P. & Le Bail, A. (1992). J. Solid State Chem. 97, 283-291.]); Lii & Wang (1989[Lii, K. H. & Wang, S. L. (1989). J. Solid State Chem. 82, 239-246.]); Daidouh et al. (1998[Daidouh, A., Veiga, M. L. & Pico, C. (1998). Solid State Ionics, 106, 103-112.]); Benhamada et al. (1991[Benhamada, L., Grandin, A., Borel, M. M., Leclaire, A. & Raveau, B. (1991). J. Solid State Chem. 94, 274-280.]). For the preparation, see: Ezzine et al. (2009[Ezzine, S., Zid, M. F. & Driss, A. (2009). Acta Cryst. E65, i31.]). For bond-valence parameters, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]).

Experimental

Crystal data
  • K(VO2)2(PO4)

  • Mr = 299.95

  • Triclinic, [P \overline 1]

  • a = 4.7438 (8) Å

  • b = 13.889 (2) Å

  • c = 21.201 (3) Å

  • [alpha] = 70.89 (2)°

  • [beta] = 89.55 (3)°

  • [gamma] = 88.66 (3)°

  • V = 1319.5 (4) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 3.71 mm-1

  • T = 298 K

  • 0.28 × 0.18 × 0.12 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 = 0.447, Tmax = 0.668

  • 7567 measured reflections

  • 5673 independent reflections

  • 4828 reflections with I > 2[sigma](I)

  • Rint = 0.021

  • 2 standard reflections every 120 min intensity decay: 1.2%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.086

  • S = 1.08

  • 5673 reflections

  • 434 parameters

  • [Delta][rho]max = 0.80 e Å-3

  • [Delta][rho]min = -0.50 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: 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: FI2128 ).


References

Amoros, P. & Le Bail, A. (1992). J. Solid State Chem. 97, 283-291.  [CrossRef] [ChemPort] [ISI]
Benhamada, L., Grandin, A., Borel, M. M., Leclaire, A. & Raveau, B. (1991). J. Solid State Chem. 94, 274-280.  [CrossRef] [ChemPort] [ISI]
Berrah, F., Borel, M. M., Leclaire, A., Daturi, M. & Raveau, B. (1999). J. Solid State Chem. 145, 643-648.  [ISI] [CrossRef] [ChemPort]
Brandenburg, K. (1998). DIAMOND. University of Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [ISI] [details]
Daidouh, A., Veiga, M. L. & Pico, C. (1997). J. Solid State Chem. 130, 28-34.  [CrossRef] [ChemPort] [ISI]
Daidouh, A., Veiga, M. L. & Pico, C. (1998). Solid State Ionics, 106, 103-112.  [ISI] [CrossRef] [ChemPort]
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [ISI] [details]
Ezzine, S., Zid, M. F. & Driss, A. (2009). Acta Cryst. E65, i31.  [CrossRef] [details]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Leclaire, A. & Raveau, B. (2006). J. Solid State Chem. 179, 205-211.  [ISI] [CrossRef] [ChemPort]
Lii, K. H. & Wang, S. L. (1989). J. Solid State Chem. 82, 239-246.  [CrossRef] [ChemPort] [ISI]
Macícek, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.  [CrossRef] [ISI] [details]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [details]
Pierini, B. T. & Lombardo, E. A. (2005). Mater. Chem. Phys. 92, 197-204.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, i2  [ doi:10.1107/S1600536812049884 ]

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