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Volume 70 
Part 1 
Page i5  
January 2014  

Received 13 December 2013
Accepted 17 December 2013
Online 24 December 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](P-O) = 0.001 Å
R = 0.020
wR = 0.050
Data-to-parameter ratio = 21.6
Details
Open access

Potassium trinickel(II) orthophosphate diphosphate, KNi3(PO4)P2O7

aLaboratoire de Physico-Chimie des Matériaux Inorganiques, Faculté des Sciences Aïn Chock, Casablanca, Morocco, and bLaboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Batouta, BP 1014, Rabat, Morocco
Correspondence e-mail: moutataouia_m@yahoo.fr

The structure of the title compound is characterized by the presence of two different anions, (PO4)3- and (P2O7)4- with an eclipsed conformation. The crystal structure consists of edge-sharing [NiO6] octa­hedra forming an [Ni3O14] chain running parallel to [001]. Adjacent chains are connected through edges and apices to PO4 and P2O7 groups in such a way as to build a three-dimensional host lattice. The resulting framework presents inter­secting tunnels running along [010] and [101] in which the 11-coordinated potassium cation is located. The crystal structure of this new phosphate probably represents a new structural type.

Related literature

For example of crystal structures with mixed phosphate anions, see: Ayed (2012[Ayed, A. (2012). C. R. Chim. 15, 603-608.]); Palkina & Maksimova (1980[Palkina, K. K. & Maksimova, S. I. (1980). Dokl. Akad. Nauk SSSR, 250, 1130-1134.]); Nagornyi et al. (1996[Nagornyi, P. G., Kapshuk, A. A., Sobolev, A. N. & Golego, N. V. (1996). Kristallografiya, 41, 835-838.]); Sanz et al. (1996[Sanz, F., Prada, C., Amado, U., Monge, M. A. & Ruiz-Valero, C. (1996). J. Solid State Chem. 123, 129-139.], 1999[Sanz, F., Prada, C., Rojo, J. M. & Ruiz-Valero, C. (1999). Chem. Mater. 11, 2673-2679.], 2001[Sanz, F., Prada, C., Rojo, J. M. & Ruiz-Valero, C. (2001). Chem. Mater. 13, 1334-1340.]).

Experimental

Crystal data
  • KNi3(PO4)P2O7

  • Mr = 484.14

  • Monoclinic, P 21 /n

  • a = 9.8591 (3) Å

  • b = 9.3953 (3) Å

  • c = 9.9778 (3) Å

  • [beta] = 118.965 (1)°

  • V = 808.63 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 8.09 mm-1

  • T = 296 K

  • 0.25 × 0.18 × 0.12 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 = 0.223, Tmax = 0.443

  • 14936 measured reflections

  • 3543 independent reflections

  • 3352 reflections with I > 2[sigma](I)

  • Rint = 0.036

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

  • wR(F2) = 0.050

  • S = 1.06

  • 3543 reflections

  • 164 parameters

  • [Delta][rho]max = 0.69 e Å-3

  • [Delta][rho]min = -0.91 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: BR2234 ).


Acknowledgements

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

References

Ayed, A. (2012). C. R. Chim. 15, 603-608.  [CrossRef] [ChemPort]
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Nagornyi, P. G., Kapshuk, A. A., Sobolev, A. N. & Golego, N. V. (1996). Kristallografiya, 41, 835-838.  [ChemPort]
Palkina, K. K. & Maksimova, S. I. (1980). Dokl. Akad. Nauk SSSR, 250, 1130-1134.  [ChemPort]
Sanz, F., Prada, C., Amado, U., Monge, M. A. & Ruiz-Valero, C. (1996). J. Solid State Chem. 123, 129-139.  [CrossRef] [ChemPort]
Sanz, F., Prada, C., Rojo, J. M. & Ruiz-Valero, C. (1999). Chem. Mater. 11, 2673-2679.  [CrossRef] [ChemPort]
Sanz, F., Prada, C., Rojo, J. M. & Ruiz-Valero, C. (2001). Chem. Mater. 13, 1334-1340.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2014). E70, i5  [ doi:10.1107/S1600536813034089 ]

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