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Volume 65 
Part 11 
Page i75  
November 2009  

Received 1 October 2009
Accepted 3 October 2009
Online 10 October 2009


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Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](Na-O) = 0.0012 Å
Disorder in main residue
R = 0.023
wR = 0.056
Data-to-parameter ratio = 57.2
Details

NaSr(AsO4)(H2O)9: the (Sr,As) analogue of nabaphite and nastrophite

Matthias Weila*

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 crystal structure of the title compound, sodium strontium orthoarsenate(V) nonahydrate, is isotypic with NaSr(PO4)(H2O)9 and the minerals nabaphite [NaBa(PO4)(H2O)9] and nastrophite [Na(Sr,Ba)(PO4)(H2O)9]. The Na and Sr atoms are located on threefold rotation axes and are in the centres of slightly distorted Na(H2O)6 octahedra and Sr(H2O)9 tricapped trigonal prisms, respectively. A framework structure is established via edge-sharing of these polyhedra. Disordered AsO4 tetrahedra (with threefold symmetry) are situated in the interstitial space of the framework. Although reasonable H-atom positions of the water molecules were not established, close O...O contacts between the disordered AsO4 tetrahedra and the water molecules suggest strong O-H...O hydrogen bonding.

Related literature

For a previous study of the title compound that revealed cubic symmetry and the lattice parameters, see: Ariguib-Kbir & Guerin (1973[Ariguib-Kbir, N. & Guerin, H. (1973). C. R. Acad. Sci. Ser. D., 276, 67-70.]). Isotypic structures have been reported for synthetic NaSr(PO4)(H2O)9 (Takagi et al., 1982[Takagi, S., Mathew, M. & Brown, W. E. (1982). Acta Cryst. B38, 1408-1413.]), nabaphite [NaBa(PO4)(H2O)9] (Baturin et al., 1982[Baturin, S. V., Malinovskii, Yu. A. & Belov, N. V. (1982). Dokl. Akad. Nauk SSSR, 266, 624-627.]) and nastrophite [Na(Sr,Ba)(PO4)(H2O)9] (Baturin et al., 1981[Baturin, S. V., Malinovskii, Yu. A. & Belov, N. V. (1981). Dokl. Akad. Nauk SSSR, 261, 619-623.]). For crystal structures in the Sr-As-O-(H) system, see: Mihajlovic & Effenberger (2006[Mihajlovic, T. & Effenberger, H. (2006). Z. Kristallogr. 221, 770-781.]); Weil et al. (2009[Weil, M., Ðordevic, T., Lengauer, C. L. & Kolitsch, U. (2009). http://dx.doi.org/10.1016/j.solidstatesciences.2009.08.019 .]). As-O bond-length data for tetrahedrally coordinated arsenic were compiled and computed by Baur (1981[Baur, W. (1981). Interatomic distance predictions for computer simulations of crystal structures, in Structure and bonding in crystals II, edited by M. O'Keeffe & A. Navrotsky, pp. 31-52. New York: Academic Press.]) and Schwendtner (2008[Schwendtner, K. (2008). PhD thesis, University of Vienna, Austria.]). For ionic radii, see: Shannon (1976[Shannon, R. D. (1976). Acta Cryst. A32, 751-767.]).

Experimental

Crystal data

  • NaSr(AsO4)(H2O)9

  • Mr = 411.67

  • Cubic, P 21 3

  • a = 10.6435 (1) Å

  • V = 1205.74 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 7.29 mm-1

  • T = 296 K

  • 0.36 × 0.24 × 0.24 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.179, Tmax = 0.274

  • 41355 measured reflections

  • 3435 independent reflections

  • 3272 reflections with I > 2[sigma](I)

  • Rint = 0.037
Refinement

  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.056

  • S = 1.07

  • 3435 reflections

  • 60 parameters

  • H-atom parameters not refined

  • [Delta][rho]max = 1.73 e Å-3

  • [Delta][rho]min = -1.66 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1537 Friedel pairs

  • Flack parameter: -0.005 (6)

Table 1
Selected interatomic distances (Å)

Sr-O1i 2.6326 (10)
Sr-O2 2.6558 (10)
Sr-O3ii 2.6994 (10)
Na-O3iii 2.3926 (12)
Na-O2iv 2.4086 (12)
O1...O5v 2.558 (7)
O1...O5 2.612 (8)
O1...O9vi 2.623 (8)
O1...O6vii 2.6640 (17)
O1...O4 2.7667 (14)
O1...O7 2.829 (5)
O1...O7vi 2.919 (5)
O2...O9vi 2.515 (9)
O2...O6vii 2.7488 (17)
O3...O8vi 2.562 (9)
O3...O6vi 2.6949 (17)
O3...O9vi 2.732 (9)
O3...O6 2.7492 (17)
O3...O5 2.757 (7)
O3...O7 2.776 (5)
O3...O7vi 2.930 (5)
Symmetry codes: (i) [-x+{\script{1\over 2}}, -y, z-{\script{1\over 2}}]; (ii) [-z, x-{\script{1\over 2}}, -y+{\script{1\over 2}}]; (iii) [-x+{\script{3\over 2}}, -y+1, z+{\script{1\over 2}}]; (iv) [-z+{\script{1\over 2}}, -x+1, y+{\script{1\over 2}}]; (v) y, z, x; (vi) [-z+1, x-{\script{1\over 2}}, -y+{\script{1\over 2}}]; (vii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). 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: ATOMS for Windows (Dowty, 2006[Dowty, E. (2006). ATOMS for Windows. Shape Software, Kingsport, Tennessee, USA.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FJ2248 ).

References

Ariguib-Kbir, N. & Guerin, H. (1973). C. R. Acad. Sci. Ser. D., 276, 67-70.  [ChemPort]
Baturin, S. V., Malinovskii, Yu. A. & Belov, N. V. (1981). Dokl. Akad. Nauk SSSR, 261, 619-623.  [ChemPort]
Baturin, S. V., Malinovskii, Yu. A. & Belov, N. V. (1982). Dokl. Akad. Nauk SSSR, 266, 624-627.  [ChemPort]
Baur, W. (1981). Interatomic distance predictions for computer simulations of crystal structures, in Structure and bonding in crystals II, edited by M. O'Keeffe & A. Navrotsky, pp. 31-52. New York: Academic Press.
Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Dowty, E. (2006). ATOMS for Windows. Shape Software, Kingsport, Tennessee, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [ChemPort] [details]
Mihajlovic, T. & Effenberger, H. (2006). Z. Kristallogr. 221, 770-781.  [CrossRef] [ChemPort]
Schwendtner, K. (2008). PhD thesis, University of Vienna, Austria.
Shannon, R. D. (1976). Acta Cryst. A32, 751-767.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Takagi, S., Mathew, M. & Brown, W. E. (1982). Acta Cryst. B38, 1408-1413.  [CrossRef] [details]
Weil, M., Ðordevic, T., Lengauer, C. L. & Kolitsch, U. (2009). http://dx.doi.org/10.1016/j.solidstatesciences.2009.08.019 .

Acta Cryst (2009). E65, i75  [ doi:10.1107/S1600536809040355 ]

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