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Volume 69 
Part 11 
Page i75  
November 2013  

Received 1 October 2013
Accepted 3 October 2013
Online 5 October 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](As-O) = 0.002 Å
R = 0.017
wR = 0.043
Data-to-parameter ratio = 16.4
Details
Open access

Olivine-type NaCd(AsO4)

aInstitute for Chemical Technologies and Analytics, Division of Structural Chemistry, Vienna University of Technology, Getreidemarkt 9/164-SC, A-1060 Vienna, Austria
Correspondence e-mail: mweil@mail.zserv.tuwien.ac.at

The title compound, sodium cadmium orthoarsenate, adopts the olivine [Mg2(SiO4)] structure type in space group Pnma, with Na (site symmetry -1) and Cd (.m.) replacing the two Mg positions, and the AsO4 tetra­hedron (.m.) the SiO4 tetra­hedron. The crystal structure is made up of a nearly hexa­gonal closed-packed arrangement of O atoms stacked along [001]. The Na and Cd atoms occupy one half of the octa­hedral voids in alternate layers stacked along [100], and one eighth of the tetra­hedral voids are occupied by As atoms.

Related literature

For a review of the crystal chemistry of olivines, see: Brown (1982[Brown, G. E. (1982). Rev. Mineral. Geochem. 5, 275-365.]). For the isotypic phosphate analogue, see: Ivanov et al. (1974[Ivanov, Yu. A., Simonov, M. A. & Belov, N. V. (1974). Kristallografiya, 19, 163-164.]); Hata et al. (1979[Hata, M., Okada, K., Akao, M., Aoki, H. & Iwai, S. I. (1979). Rep. Res. Lab. Eng. Mater. Tokyo Inst. Technol. 4, 43-48.]). For other phases in the system Na-Cd-P-O, see: Murashova & Chudinova (1997[Murashova, E. V. & Chudinova, N. N. (1997). Kristallografiya, 42, 416-420.]); Bennazha et al. (2000[Bennazha, J., Erragh, F., Boukhari, A. & Holt, E. M. (2000). J. Chem. Crystallogr. 30, 705-716.]); Ben Amara et al. (1979[Ben Amara, M., Olazcuaga, R., Le Flem, G. & Vlasse, M. (1979). Acta Cryst. B35, 1567-1569.]). For standardization of structure data, see: Gelato & Parthé (1987[Gelato, L. M. & Parthé, E. (1987). J. Appl. Cryst. 20, 139-143.]).

Experimental

Crystal data
  • NaCd(AsO4)

  • Mr = 274.32

  • Orthorhombic, P n m a

  • a = 11.1585 (17) Å

  • b = 6.550 (1) Å

  • c = 5.2330 (8) Å

  • V = 382.47 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 14.27 mm-1

  • T = 293 K

  • 0.06 × 0.04 × 0.04 mm

Data collection
  • Bruker SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.481, Tmax = 0.599

  • 4252 measured reflections

  • 656 independent reflections

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

  • Rint = 0.030

Refinement
  • R[F2 > 2[sigma](F2)] = 0.017

  • wR(F2) = 0.043

  • S = 1.10

  • 656 reflections

  • 40 parameters

  • [Delta][rho]max = 0.67 e Å-3

  • [Delta][rho]min = -0.75 e Å-3

Table 1
Selected bond lengths (Å)

Cd-O2 2.229 (3)
Cd-O1i 2.2629 (18)
Cd-O1ii 2.2629 (18)
Cd-O3 2.321 (2)
Cd-O1 2.4030 (18)
Cd-O1iii 2.4030 (18)
Na-O2 2.3779 (19)
Na-O2iv 2.3779 (19)
Na-O3v 2.3814 (18)
Na-O3vi 2.3814 (18)
Na-O1v 2.5031 (18)
Na-O1vi 2.5031 (18)
As-O3vii 1.677 (2)
As-O2viii 1.687 (2)
As-O1iii 1.7030 (17)
As-O1 1.7030 (17)
Symmetry codes: (i) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (ii) [-x+{\script{1\over 2}}, -y, z+{\script{1\over 2}}]; (iii) [x, -y+{\script{1\over 2}}, z]; (iv) -x, -y, -z; (v) [x-{\script{1\over 2}}, y, -z+{\script{1\over 2}}]; (vi) [-x+{\script{1\over 2}}, -y, z-{\script{1\over 2}}]; (vii) x, y, z-1; (viii) [x+{\script{1\over 2}}, y, -z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2005[Bruker (2005). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). SMART, 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: ATOMS for Windows (Dowty, 2006[Dowty, E. (2006). ATOMS for Windows. Shape Software, Kingsport, Tennessee, USA.]); 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: PJ2006 ).


Acknowledgements

The X-ray centre of the Vienna University of Technology is acknowledged for financial support and for providing access to the single-crystal diffractometer.

References

Ben Amara, M., Olazcuaga, R., Le Flem, G. & Vlasse, M. (1979). Acta Cryst. B35, 1567-1569.  [CrossRef] [IUCr Journals]
Bennazha, J., Erragh, F., Boukhari, A. & Holt, E. M. (2000). J. Chem. Crystallogr. 30, 705-716.  [Web of Science] [CrossRef] [ChemPort]
Brown, G. E. (1982). Rev. Mineral. Geochem. 5, 275-365.
Bruker (2005). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Dowty, E. (2006). ATOMS for Windows. Shape Software, Kingsport, Tennessee, USA.
Gelato, L. M. & Parthé, E. (1987). J. Appl. Cryst. 20, 139-143.  [CrossRef] [Web of Science] [IUCr Journals]
Hata, M., Okada, K., Akao, M., Aoki, H. & Iwai, S. I. (1979). Rep. Res. Lab. Eng. Mater. Tokyo Inst. Technol. 4, 43-48.  [ChemPort]
Ivanov, Yu. A., Simonov, M. A. & Belov, N. V. (1974). Kristallografiya, 19, 163-164.  [ChemPort]
Murashova, E. V. & Chudinova, N. N. (1997). Kristallografiya, 42, 416-420.  [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 (2013). E69, i75  [ doi:10.1107/S1600536813027256 ]

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