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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 [sigma](Si-O) = 0.002 Å
R = 0.020
wR = 0.045
Data-to-parameter ratio = 14.2
Details
Open access

Tetrayttrium(III) trisulfide disilicate

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[Zeng, H.-Y., Mao, J.-G. & Huang, J.-S. (1999). J. Alloys Compd, 291, 89-93.]) for Ln = La; Hartenbach & Schleid (2002[Hartenbach, I. & Schleid, T. (2002). Z. Kristallogr. New Cryst. Struct. 217, 175-176.]) for Ln = Ce; Sieke & Schleid (2000[Sieke, C. & Schleid, T. (2000). Z. Anorg. Allg. Chem. 626, 196-201.]) for Ln = Pr; Grupe et al. (1992[Grupe, M., Lissner, F., Schleid, T. & Urland, T. (1992). Z. Anorg. Allg. Chem. 616, 53-60.]) for Ln = Nd, Er; Sieke & Schleid (1999[Sieke, C. & Schleid, T. (1999). Z. Anorg. Allg. Chem. 625, 131-136.]) for Ln = Sm; Sieke et al. (2002[Sieke, C., Hartenbach, I. & Schleid, T. (2002). Z. Naturforsch. Teil B, 57, 1427-1432.]) for Ln = Gd, Tb, Dy, Ho, Er, Tm; Range et al. (1996[Range, K.-J., Andratschke, M. & Gietl, A. (1996). Z. Kristallogr. 211, 816.]) for Ln = Yb. For lanthanide selenide disilicates of formula Ln4Se3(Si2O7), see: Deudon et al. (1993[Deudon, C., Meerschaut, A. & Rouxel, J. (1993). J. Solid State Chem. 104, 282-288.]) for Ln = La; Grupe & Urland (1989[Grupe, M. & Urland, W. (1989). Naturwissenschaften, 76, 327-329.]) for Ln = Ce, Nd; Grupe et al. (1992[Grupe, M., Lissner, F., Schleid, T. & Urland, T. (1992). Z. Anorg. Allg. Chem. 616, 53-60.]) for Ln = Pr, Sm, Gd. Ionic radii were taken from Shannon (1976[Shannon, R. D. (1976). Acta Cryst. A32, 751-767.]). For computational details, see: Gelato & Parthé (1987[Gelato, L. M. & Parthé, E. (1987). J. Appl. Cryst. 20, 139-143.]). For additional synthetic details, see: Larroque & Beauvy (1986[Larroque, R. C. & Beauvy, M. (1986). J. Less-Common Met. 121, 487-496.]).

Experimental

Crystal data
  • Y4S3(Si2O7)

  • Mr = 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[alpha] radiation

  • [mu] = 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[Sheldrick, G. M. (2008a). SADABS. University of Göttingen, Germany.])] Tmin = 0.191, Tmax = 0.238

  • 10831 measured reflections

  • 668 independent reflections

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

  • Rint = 0.066

Refinement
  • R[F2 > 2[sigma](F2)] = 0.020

  • wR(F2) = 0.045

  • S = 1.25

  • 668 reflections

  • 47 parameters

  • [Delta][rho]max = 0.61 e Å-3

  • [Delta][rho]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-O2iv 2.3884 (15)
Y2-O1iv 2.530 (2)
Y2-S1iv 2.8419 (9)
Y2-S3v 2.8652 (6)
Si1-O3 1.621 (2)
Si1-O1 1.623 (2)
Si1-O2 1.641 (3)
Y1vi-S1-Y2vii 90.389 (13)
Y1viii-O1-Y2ix 106.88 (8)
Si1x-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[Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2009[Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); molecular graphics: CrystalMaker (Palmer, 2009[Palmer, D. (2009). CrystalMaker. CrystalMaker Software Ltd, Oxford, England.]); 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

Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Deudon, C., Meerschaut, A. & Rouxel, J. (1993). J. Solid State Chem. 104, 282-288.  [CrossRef] [ChemPort]
Gelato, L. M. & Parthé, E. (1987). J. Appl. Cryst. 20, 139-143.  [CrossRef] [ISI] [details]
Grupe, M., Lissner, F., Schleid, T. & Urland, T. (1992). Z. Anorg. Allg. Chem. 616, 53-60.  [CrossRef] [ChemPort]
Grupe, M. & Urland, W. (1989). Naturwissenschaften, 76, 327-329.  [CrossRef] [ChemPort]
Hartenbach, I. & Schleid, T. (2002). Z. Kristallogr. New Cryst. Struct. 217, 175-176.  [ChemPort]
Larroque, R. C. & Beauvy, M. (1986). J. Less-Common Met. 121, 487-496.  [ChemPort]
Palmer, D. (2009). CrystalMaker. CrystalMaker Software Ltd, Oxford, England.
Range, K.-J., Andratschke, M. & Gietl, A. (1996). Z. Kristallogr. 211, 816.  [CrossRef]
Shannon, R. D. (1976). Acta Cryst. A32, 751-767.  [CrossRef] [details]
Sheldrick, G. M. (2008a). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sieke, C., Hartenbach, I. & Schleid, T. (2002). Z. Naturforsch. Teil B, 57, 1427-1432.  [ChemPort]
Sieke, C. & Schleid, T. (1999). Z. Anorg. Allg. Chem. 625, 131-136.  [CrossRef] [ChemPort]
Sieke, C. & Schleid, T. (2000). Z. Anorg. Allg. Chem. 626, 196-201.  [CrossRef] [ChemPort]
Zeng, H.-Y., Mao, J.-G. & Huang, J.-S. (1999). J. Alloys Compd, 291, 89-93.  [CrossRef] [ChemPort]


Acta Cryst (2011). E67, i16  [ doi:10.1107/S1600536810054607 ]

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