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Volume 64 
Part 8 
Page i47  
August 2008  

Received 27 June 2008
Accepted 2 July 2008
Online 5 July 2008


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Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](Sb-Ni) = 0.001 Å
R = 0.025
wR = 0.054
Data-to-parameter ratio = 25.3
Details

Zr3NiSb7: a new antimony-enriched ZrSb2 derivative

V. Romaka,a* A. Tkachukb and L. Romakaa

aDepartment of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya Street 6, 79005 Lviv, Ukraine, and bDepartment of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2
Correspondence e-mail: romakav@yahoo.com

Single crystals of trizirconium nickel heptaantimonide were synthesized from the constituent elements by arc-melting. The compound crystallizes in a unique structure type and belongs to the family of two-layer structures. All crystallographically unique atoms (3 × Zr, 1 × Ni and 7 × Sb) are located at sites with m symmetry. The structure contains `Zr2Ni2Sb5' and `Zr4Sb9' fragments and might be described as a new ZrSb2 derivative with a high Sb content.

Related literature

The structure of ZrSb2 was described by Garcia & Corbett (1988[Garcia, E. & Corbett, J. D. (1988). J. Solid State Chem. 73, 440-451.]). For related antimonides, see: Romaka et al. (2007[Romaka, L., Tkachuk, A. & Stadnyk, Yu. (2007). 11th Scientific Conference `L'viv Chemistry Reading 2007', Collected Abstracts, p. H37. L'viv: Publishing Center of Ivan Franko National University.]); Tkachuk et al. (2007[Tkachuk, A., Romaka, L. & Stadnyk, Yu. (2007). 10th International Conference on Crystal Chemistry of Intermetallic Compounds, L'viv (Ukraine), Collected Abstracts, p. 71. L'viv: Publishing Center of Ivan Franko National University.]). For related literature, see: Emsley (1991[Emsley, J. (1991). The Elements, 2nd ed. Oxford: Clarendon Press.]).

Experimental

Crystal data

  • Zr3NiSb7

  • Mr = 1184.62

  • Orthorhombic, P n m a

  • a = 17.5165 (19) Å

  • b = 3.9266 (4) Å

  • c = 14.3968 (15) Å

  • V = 990.22 (18) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 23.56 mm-1

  • T = 295 (2) K

  • 0.37 × 0.06 × 0.04 mm
Data collection

  • Bruker SMART 1000 diffractometer

  • Absorption correction: numerical (SHELXTL; Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) Tmin = 0.057, Tmax = 0.426

  • 11118 measured reflections

  • 1722 independent reflections

  • 1500 reflections with I > 2[sigma](I)

  • Rint = 0.043
Refinement

  • R[F2 > 2[sigma](F2)] = 0.024

  • wR(F2) = 0.053

  • S = 1.18

  • 1722 reflections

  • 68 parameters

  • [Delta][rho]max = 2.12 e Å-3

  • [Delta][rho]min = -2.89 e Å-3

Table 1
Selected bond lengths (Å)

Zr1-Sb4i 2.9620 (6)
Zr1-Sb6 2.9876 (8)
Zr1-Sb1ii 3.0669 (8)
Zr1-Sb3iii 3.0720 (7)
Zr1-Sb7iii 3.0960 (6)
Zr1-Sb5 3.1324 (8)
Zr2-Sb6iv 2.9478 (6)
Zr2-Sb4iii 2.9499 (6)
Zr2-Sb2iv 2.9604 (6)
Zr2-Sb2ii 3.0029 (8)
Zr2-Sb5 3.0044 (8)
Zr3-Sb1iv 2.9569 (6)
Zr3-Sb3iv 2.9944 (7)
Zr3-Sb5iv 2.9958 (6)
Zr3-Sb6v 2.9975 (8)
Zr3-Sb3vi 3.1616 (9)
Ni1-Sb7 2.5728 (10)
Ni1-Sb2iv 2.5875 (7)
Ni1-Sb1iv 2.6140 (7)
Ni1-Sb4vi 2.7141 (10)
Sb1-Sb2 3.1998 (8)
Sb1-Sb3vii 3.2645 (6)
Sb1-Sb4viii 3.2981 (6)
Sb2-Sb2ix 3.2250 (7)
Sb2-Sb4viii 3.3111 (6)
Sb5-Sb7iii 3.1380 (6)
Sb5-Sb6iv 3.1387 (6)
Sb6-Sb7i 3.1393 (6)
Symmetry codes: (i) [-x+{\script{1\over 2}}, -y+1, z-{\script{1\over 2}}]; (ii) [x+{\script{1\over 2}}, y, -z+{\script{1\over 2}}]; (iii) [-x+{\script{1\over 2}}, -y, z-{\script{1\over 2}}]; (iv) [-x+{\script{1\over 2}}, -y, z+{\script{1\over 2}}]; (v) x, y, z+1; (vi) [x+{\script{1\over 2}}, y, -z+{\script{3\over 2}}]; (vii) -x, -y+1, -z+1; (viii) -x, -y, -z+1; (ix) -x, -y, -z.

Data collection: SMART (Bruker, 2000[Bruker (2000). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2000[Bruker (2000). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; 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, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2182 ).

Acknowledgements

The work was in part supported by the Ministry of Ukraine for Education and Science (grant No. 0106U001299).

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2000). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.
Emsley, J. (1991). The Elements, 2nd ed. Oxford: Clarendon Press.
Garcia, E. & Corbett, J. D. (1988). J. Solid State Chem. 73, 440-451.  [CrossRef] [ChemPort]
Romaka, L., Tkachuk, A. & Stadnyk, Yu. (2007). 11th Scientific Conference `L'viv Chemistry Reading 2007', Collected Abstracts, p. H37. L'viv: Publishing Center of Ivan Franko National University.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tkachuk, A., Romaka, L. & Stadnyk, Yu. (2007). 10th International Conference on Crystal Chemistry of Intermetallic Compounds, L'viv (Ukraine), Collected Abstracts, p. 71. L'viv: Publishing Center of Ivan Franko National University.

Acta Cryst (2008). E64, i47  [ doi:10.1107/S1600536808020278 ]

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