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Volume 69 
Part 10 
Page i71  
October 2013  

Received 9 August 2013
Accepted 24 September 2013
Online 28 September 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](Si-O) = 0.009 Å
R = 0.055
wR = 0.107
Data-to-parameter ratio = 13.3
Details
Open access

Tetrayttrium difluoride disilicate orthosilicate, Y4F2[Si2O7][SiO4]

aDepartment of Chemistry and Biochemistry, University of Delaware, 304A Drake Hall, Newark, DE 19716, USA, and bInstitut für Anorganische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
Correspondence e-mail: schleid@iac.uni-stuttgart.de

In the crystal structure of Y4F2[Si2O7][SiO4], three fundamental building blocks are present, viz. anionic disilicate and orthosilicate units ([Si2O7]6- and [SiO4]4-) and cationic [F2Y4]10+ entities. The latter are built up by two [FY3]8+ triangles sharing a common edge. The four crystallographically independent Y3+ cations display coordination numbers of eight for one and of seven for the other three cations, provided by oxide and fluoride anions. The overall arrangement of the building blocks can be considered as layer-like parallel to the ac plane.

Related literature

For isotypic Er4F2[Si2O7][SiO4], see: Müller-Bunz & Schleid (2001[Müller-Bunz, H. & Schleid, Th. (2001). Z. Anorg. Allg. Chem. 627, 218-223.]). For the minor by-product phase Y3F[Si3O10], see: Müller-Bunz & Schleid (1998[Müller-Bunz, H. & Schleid, Th. (1998). Z. Anorg. Allg. Chem. 624, 1082-1084.]). For the crystal structure of allanite (old name orthite), see: Rumanova & Nikoleva (1959[Rumanova, I. M. & Nikoleva, T. V. (1959). Sov. Phys. Crystallogr. 4, 789-795.]).

Experimental

Crystal data
  • Y4F2[Si2O7][SiO4]

  • Mr = 653.91

  • Triclinic, [P \overline 1]

  • a = 6.4987 (5) Å

  • b = 6.6196 (5) Å

  • c = 13.2978 (9) Å

  • [alpha] = 87.418 (4)°

  • [beta] = 85.702 (4)°

  • [gamma] = 60.854 (3)°

  • V = 498.19 (6) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 23.52 mm-1

  • T = 293 K

  • 0.10 × 0.06 × 0.03 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1995[Stoe & Cie (1995). X-SHAPE. Stoe & Cie, Darmstadt, Germany.]) Tmin = 0.104, Tmax = 0.463

  • 12473 measured reflections

  • 2427 independent reflections

  • 1475 reflections with I > 2[sigma](I)

  • Rint = 0.120

Refinement
  • R[F2 > 2[sigma](F2)] = 0.055

  • wR(F2) = 0.107

  • S = 0.98

  • 2427 reflections

  • 182 parameters

  • [Delta][rho]max = 1.56 e Å-3

  • [Delta][rho]min = -1.49 e Å-3

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); 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: DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2768 ).


Acknowledgements

This work was supported by the State of Baden-Württemberg (Stuttgart) and the Deutsche Forschungsgemeinschaft (DFG, Frankfurt/Main) within the funding program Open Access Publishing.

References

Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Müller-Bunz, H. & Schleid, Th. (1998). Z. Anorg. Allg. Chem. 624, 1082-1084.
Müller-Bunz, H. & Schleid, Th. (2001). Z. Anorg. Allg. Chem. 627, 218-223.
Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Rumanova, I. M. & Nikoleva, T. V. (1959). Sov. Phys. Crystallogr. 4, 789-795.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Stoe & Cie (1995). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


Acta Cryst (2013). E69, i71  [ doi:10.1107/S1600536813026391 ]

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