Strontium disodium hexa­thio­diphosphate(IV) octa­hydrate

Ehrhardt, C.; Gjikaj, M.

doi:10.1107/S1600536810025316

Volume 66
Part 8
Page i55
August 2010

Received 11 June 2010
Accepted 28 June 2010
Online 3 July 2010

Key indicators
Single-crystal X-ray study
T = 223 K
Mean (P-P) = 0.001 Å
R = 0.036
wR = 0.087
Data-to-parameter ratio = 21.0
Details

Strontium disodium hexathiodiphosphate(IV) octahydrate

Claus Ehrhardt ^a and Mimoza Gjikaj ^a ^*

^aInstitute of Inorganic and Analytical Chemistry, Clausthal University of Technology, Paul-Ernst-Strasse 4, 38678 Clausthal-Zellerfeld, Germany
Correspondence e-mail: mimoza.gjikaj@tu-clausthal.de

The crystal structure of SrNa₂(P₂S₆)·8H₂O is isotypic with that of its calcium analogue. The asymmetric unit consists of one Sr²⁺ cation (2 symmetry), two Na⁺ cations (2 and $[\overline{1}]$ symmetry, respectively), one-half of a centrosymmetric (P₂S₆)^4- anion with a staggered confirmation and four water molecules. The crystal structure is built up from layers of cations and anions extending parallel to (101). Each SrO₈ polyhedron is connected via edge-sharing to two NaO₄S₂ octahedra and to one NaO₂S₄ octahedron. The NaO₄S₂ octaedra are, in turn, connected with two (P₂S₆)^4- anions through common corners. Adjacent layers are held together by several O-HS hydrogen-bonding interactions.

Related literature

For background to thiodiphosphates(IV), including their crystal structures, see: Jörgens et al. (2003); Klingen et al. (1973). For the synthesis of Na₄(P₂S₆)·6H₂O, see: Fincher et al. (1998). For the isotypic structure of CaNa₂(P₂S₆)·8H₂O, see: Ehrhardt &Gjikaj (2010).

Experimental

Crystal data

SrNa₂(P₂S₆)·8H₂O
M_r = 532.03
Monoclinic, C 2/c
a = 14.9010 (19) Å
b = 9.3282 (7) Å
c = 14.1338 (19) Å
= 114.918 (10)°
V = 1781.7 (4) Å³
Z = 4
Mo K radiation
= 3.98 mm^-1
T = 223 K
0.28 × 0.26 × 0.25 mm

Data collection

Stoe IPDS 2 diffractometer
14472 measured reflections
2544 independent reflections
2302 reflections with I > 2(I)
R_int = 0.064

Refinement

R[F² > 2(F²)] = 0.036
wR(F²) = 0.087
S = 1.12
2544 reflections
121 parameters
All H-atom parameters refined
_max = 1.14 e Å^-3
_min = -0.89 e Å^-3

Table 1
Selected bond lengths (Å)

Sr-O1	2.573 (2)
Sr-O2	2.596 (2)
Sr-O3	2.631 (2)
Sr-O4	2.6459 (19)
Na1-O3	2.345 (2)
Na1-O4	2.372 (2)
Na1-S2ⁱ	2.9741 (7)
Na2-O2	2.570 (3)
Na2-S1ⁱ	2.9525 (15)
Na2-S3	2.9924 (9)
P-S1	2.0162 (9)
P-S2	2.0243 (9)
P-S3	2.0248 (9)
P-Pⁱ	2.2405 (12)
Symmetry code: (i) $[-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1AS3ⁱⁱ	0.76 (7)	2.66 (6)	3.324 (3)	146 (6)
O1-H1BS2ⁱⁱⁱ	0.86 (6)	2.53 (6)	3.306 (3)	151 (5)
O2-H2AS2ⁱⁱ	0.82 (6)	2.51 (6)	3.334 (2)	176 (6)
O2-H2BS2ⁱ	0.79 (5)	2.43 (5)	3.214 (2)	176 (5)
O3-H3AS1^iv	0.76 (7)	2.44 (7)	3.169 (2)	163 (5)
O3-H3BS1ⁱⁱ	0.88 (7)	2.40 (7)	3.222 (2)	157 (6)
O4-H4AS3^v	0.95 (5)	2.29 (5)	3.245 (2)	175 (4)
O4-H4BS3	0.91 (6)	2.30 (6)	3.199 (2)	171 (5)
Symmetry codes: (i) $[-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z]$ ; (ii) $[x+{\script{1\over 2}}, y-{\script{1\over 2}}, z]$ ; (iii) $[-x+1, y-1, -z+{\script{1\over 2}}]$ ; (iv) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z]$ ; (v) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: X-AREA (Stoe & Cie, 2008); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2004); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2365 ).

References

Brandenburg, K. (2004). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Ehrhardt, C. & Gjikaj, M. (2010). Acta Cryst. E66, i54.
Fincher, T., LeBret, G. & Cleary, D. A. (1998). J. Solid State Chem. 141, 274-281.
Jörgens, S., Mewis, A., Hoffmann, R.-D., Pöttgen, R. & Mosel, B. D. (2003). Z. Anorg. Allg. Chem. 629, 429-433.
Klingen, W., Ott, R. & Hahn, H. (1973). Z. Anorg. Allg. Chem. 396, 271-278.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Stoe & Cie (2008). X-AREA. Stoe & Cie, Darmstadt, Germany.

inorganic compounds