Tetra­yttrium(III) tris­ulfide disilicate

Koscielski, L.A.; Ibers, J.A.

doi:10.1107/S1600536810054607

Volume 67
Part 2
Page i16
February 2011

Received 14 December 2010
Accepted 28 December 2010
Online 15 January 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (Si-O) = 0.002 Å
R = 0.020
wR = 0.045
Data-to-parameter ratio = 14.2
Details

Tetrayttrium(III) trisulfide disilicate

Lukasz A. Koscielski ^a and James A. Ibers ^a ^*

^aDepartment of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113, USA
Correspondence e-mail: ibers@chem.northwestern.edu

Tetrayttrium(III) trisulfide disilicate, Y₄S₃(Si₂O₇), crystallizes in the Sm₄S₃(Si₂O₇) structure type. The structure consists of isolated (Si₂O₇)^6- units (2mm. symmetry) and two crystallographically independent Y³⁺ cations bridged by one S and one O atom. The first Y atom (site symmetry .m.) is coordinated by three O atoms and three S atoms in a trigonal-prismatic arrangement whereas the second Y atom (site symmetry ..2) is coordinated by six O atoms and three S atoms in a tricapped trigonal-prismatic arrangement.

Related literature

For lanthanide sulfide disilicates of formula Ln₄S₃(Si₂O₇), see: Zeng et al. (1999) for Ln = La; Hartenbach & Schleid (2002) for Ln = Ce; Sieke & Schleid (2000) for Ln = Pr; Grupe et al. (1992) for Ln = Nd, Er; Sieke & Schleid (1999) for Ln = Sm; Sieke et al. (2002) for Ln = Gd, Tb, Dy, Ho, Er, Tm; Range et al. (1996) for Ln = Yb. For lanthanide selenide disilicates of formula Ln₄Se₃(Si₂O₇), see: Deudon et al. (1993) for Ln = La; Grupe & Urland (1989) for Ln = Ce, Nd; Grupe et al. (1992) for Ln = Pr, Sm, Gd. Ionic radii were taken from Shannon (1976). For computational details, see: Gelato & Parthé (1987). For additional synthetic details, see: Larroque & Beauvy (1986).

Experimental

Crystal data

Y₄S₃(Si₂O₇)
M_r = 620.00
Tetragonal, I 4₁ /a m d
a = 11.6706 (16) Å
c = 13.5873 (19) Å
V = 1850.6 (4) Å³
Z = 8
Mo K radiation
= 25.78 mm^-1
T = 100 K
0.10 × 0.08 × 0.08 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: numerical [face-indexed using SADABS (Sheldrick, 2008a)] T_min = 0.191, T_max = 0.238
10831 measured reflections
668 independent reflections
587 reflections with I > 2(I)
R_int = 0.066

Refinement

R[F² > 2(F²)] = 0.020
wR(F²) = 0.045
S = 1.25
668 reflections
47 parameters
_max = 0.61 e Å^-3
_min = -0.77 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Y1-O2	2.279 (3)
Y1-O1ⁱ	2.428 (2)
Y1-S1ⁱⁱ	2.7714 (8)
Y1-S2	2.7874 (6)
Y2-O1ⁱⁱⁱ	2.355 (2)
Y2-O2^iv	2.3884 (15)
Y2-O1^iv	2.530 (2)
Y2-S1^iv	2.8419 (9)
Y2-S3^v	2.8652 (6)
Si1-O3	1.621 (2)
Si1-O1	1.623 (2)
Si1-O2	1.641 (3)

Y1^vi-S1-Y2^vii	90.389 (13)
Y1^viii-O1-Y2^ix	106.88 (8)
Si1^x-O3-Si1	128.1 (3)
Symmetry codes: (i) $[y-{\script{1\over 4}}, x-{\script{1\over 4}}, z+{\script{1\over 4}}]$ ; (ii) $[-x+{\script{1\over 2}}, -y, z+{\script{1\over 2}}]$ ; (iii) $[-y+{\script{1\over 4}}, x+{\script{1\over 4}}, -z+{\script{3\over 4}}]$ ; (iv) $[x, y+{\script{1\over 2}}, -z+1]$ ; (v) -x, -y+1, -z+1; (vi) $[-x+{\script{1\over 2}}, -y, z-{\script{1\over 2}}]$ ; (vii) $[y-{\script{1\over 4}}, -x+{\script{1\over 4}}, -z+{\script{3\over 4}}]$ ; (viii) $[y+{\script{1\over 4}}, -x+{\script{1\over 4}}, z-{\script{1\over 4}}]$ ; (ix) $[x, y-{\script{1\over 2}}, -z+1]$ ; (x) $[-x, -y+{\script{1\over 2}}, z]$ .

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b); molecular graphics: CrystalMaker (Palmer, 2009); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2440 ).

Acknowledgements

This research was supported by the US Department of Energy, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division and Division of Materials Sciences and Engineering Grant ER-15522.

References

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inorganic compounds