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Volume 69 
Part 11 
Page i79  
November 2013  

Received 8 October 2013
Accepted 21 October 2013
Online 26 October 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](V-O) = 0.001 Å
R = 0.016
wR = 0.037
Data-to-parameter ratio = 21.3
Details
Open access

A triclinic polymorph of dicadmium divanadate(V)

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

The title compound, Cd2V2O7, was obtained under hydro­thermal conditions. Different from the known monoclinic form, the new polymorph of Cd2V2O7 has triclinic symmetry and is isotypic with Ca2V2O7. The building units of the crystal structure are two Cd2+ cations, with coordination numbers of six and seven, and two V atoms with a tetra­hedral and a significantly distorted trigonal-pyramidal coordination environment, respectively. Two VO5 pyramids share an edge and each pyramid is connected to one VO4 tetra­hedron via a corner atom, forming an isolated V4O148- anion. These anions are arranged in sheets parallel to (-211) and are linked through the Cd2+ cations into a three-dimensional framework structure.

Related literature

For Ca2V2O7, isotypic with the title compound, see: Trunov et al. (1983[Trunov, V. K., Velikodnyi, Y. A., Murasheva, E. V. & Zhuravlev, V. D. (1983). Dokl. Akad. Nauk SSSR, 270, 886-887.]). For the structure of the monoclinic polymorph of Cd2V2O7, see: Au & Calvo (1967[Au, P. K. L. & Calvo, C. (1967). Can. J. Chem. 45, 2297-2302.]). For the thermal stability of the monoclinic polymorph, see: Krasnenko & Rotermel (2010[Krasnenko, T. I. & Rotermel, M. V. (2010). Russ. J. Inorg. Chem. 55, 430-433.]). For applications of vanadates, see: Jin et al. (2013[Jin, M., Lu, P., Yu, G. X., Cheng, Z. M., Chen, L. F. & Wang, J. A. (2013). Catal. Today, 212, 142-148.]); Valverde et al. (2012[Valverde, J. A., Echavarría, A., Ribeiro, M. F., Palacio, L. A. & Eon, J. G. (2012). Catal. Today, 192, 36-43.]). For bond-valence analysis, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]).

Experimental

Crystal data
  • Cd2V2O7

  • Mr = 438.68

  • Triclinic, [P \overline 1]

  • a = 6.5974 (2) Å

  • b = 6.8994 (2) Å

  • c = 6.9961 (2) Å

  • [alpha] = 83.325 (1)°

  • [beta] = 63.898 (1)°

  • [gamma] = 80.145 (1)°

  • V = 281.45 (1) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 10.65 mm-1

  • T = 296 K

  • 0.29 × 0.17 × 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 = 0.164, Tmax = 0.376

  • 10113 measured reflections

  • 2134 independent reflections

  • 2077 reflections with I > 2[sigma](I)

  • Rint = 0.025

Refinement
  • R[F2 > 2[sigma](F2)] = 0.016

  • wR(F2) = 0.037

  • S = 1.21

  • 2134 reflections

  • 100 parameters

  • [Delta][rho]max = 0.70 e Å-3

  • [Delta][rho]min = -1.53 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: WM2776 ).


Acknowledgements

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

References

Au, P. K. L. & Calvo, C. (1967). Can. J. Chem. 45, 2297-2302.  [CrossRef] [ChemPort]
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [Web of Science] [IUCr Journals]
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]
Jin, M., Lu, P., Yu, G. X., Cheng, Z. M., Chen, L. F. & Wang, J. A. (2013). Catal. Today, 212, 142-148.  [Web of Science] [CrossRef] [ChemPort]
Krasnenko, T. I. & Rotermel, M. V. (2010). Russ. J. Inorg. Chem. 55, 430-433.  [Web of Science] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Trunov, V. K., Velikodnyi, Y. A., Murasheva, E. V. & Zhuravlev, V. D. (1983). Dokl. Akad. Nauk SSSR, 270, 886-887.  [ChemPort]
Valverde, J. A., Echavarría, A., Ribeiro, M. F., Palacio, L. A. & Eon, J. G. (2012). Catal. Today, 192, 36-43.  [Web of Science] [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, i79  [ doi:10.1107/S1600536813028869 ]

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