A ramsayite-type oxide, Ca2Sn2Al2O9

Yamane, H.; Abe, S.; Tu, R.; Goto, T.

doi:10.1107/S1600536810036445

Volume 66
Part 10
Page i72
October 2010

Received 28 August 2010
Accepted 12 September 2010
Online 18 September 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (Al-O) = 0.002 Å
R = 0.018
wR = 0.043
Data-to-parameter ratio = 12.2
Details

A ramsayite-type oxide, Ca₂Sn₂Al₂O₉

Hisanori Yamane,^a ^* Shunsuke Abe,^a Rong Tu ^b and Takashi Goto ^b

^aInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan, and ^bInstitute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
Correspondence e-mail: yamane@tagen.tohoku.ac.jp

The title compound, dicalcium nonaoxidodistannate(IV)dialuminate, is the second example which crystallizes in the isotypic structure of a pyroxene silicate, Na₂Ti₂Si₂O₉ (ramsayite). ¹[Sn₂O₈] chains and pyroxene-type ¹[Al₂O₆] chains are formed along the b axis by sharing O atoms. The Ca atoms are situated in the resulting channels and exhibit a coordination number of 7.

Related literature

For the structure of ramsayite, Na₂Ti₂Si₂O₉, see: Sundberg et al. (1987). For the synthesis of Ca₈Sn₇Al₁₀O₃₇, see: Barbanyagre & Kotlyarov (2001). For the structure of a related stannate silicate, Ca₂SnSi₂O₉, see: Blasse et al. (1995). For bond-valence parameters, see: Brese & O'Keeffe (1991). For the CaO-Al₂O₃ system, see: Jerebtsov & Mikhailov (2001). For the Inorganic Crystal Structure Database, see: ICSD (2009).

Experimental

Crystal data

Ca₂Sn₂Al₂O₉
M_r = 515.50
Orthorhombic, P b c n
a = 8.9866 (6) Å
b = 5.4894 (11) Å
c = 14.9030 (18) Å
V = 735.18 (18) Å³
Z = 4
Mo K radiation
= 8.46 mm^-1
T = 293 K
0.17 × 0.15 × 0.07 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: numerical (NUMABS; Higashi, 1999) T_min = 0.427, T_max = 0.717
6534 measured reflections
845 independent reflections
788 reflections with I > 2(I)
R_int = 0.051

Refinement

R[F² > 2(F²)] = 0.018
wR(F²) = 0.043
S = 1.08
845 reflections
69 parameters
_max = 0.72 e Å^-3
_min = -0.72 e Å^-3

Table 1
Selected bond lengths (Å)

Ca1-O3ⁱ	2.303 (2)
Ca1-O2	2.391 (2)
Ca1-O1ⁱⁱ	2.404 (2)
Ca1-O4ⁱ	2.412 (2)
Ca1-O2ⁱ	2.463 (2)
Ca1-O5	2.486 (2)
Ca1-O3ⁱⁱⁱ	2.624 (2)
Al1-O2ⁱ	1.735 (2)
Al1-O4	1.745 (2)
Al1-O2	1.763 (2)
Al1-O1^iv	1.777 (3)
Sn1-O4^v	2.002 (2)
Sn1-O3	2.032 (2)
Sn1-O3ⁱ	2.053 (2)
Sn1-O5^vi	2.0682 (13)
Sn1-O1ⁱ	2.106 (2)
Sn1-O1	2.207 (2)
Symmetry codes: (i) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]$ ; (ii) $[-x, y, -z+{\script{1\over 2}}]$ ; (iii) $[x-{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iv) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (v) $[-x+1, y, -z+{\script{1\over 2}}]$ ; (vi) $[x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku, 2005); program(s) used to solve structure: SIR2004 (Burla et al., 2005); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: VESTA (Momma & Izumi, 2008); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2147 ).

Acknowledgements

This work was supported in part by a Grant-in-Aid for Scientific Research (B) (No. 21350113, 2009) from the Ministry of Education, Culture, Sports and Technology (MEXT), Japan, and performed under the auspices of the Inter-university Cooperative Research Program of the Institute for Materials Research, Tohoku University.

References

Barbanyagre, V. D. & Kotlyarov, R. A. (2001). Tsement Ego Primen. 1, 42-44.
Blasse, G., Hamstra, M. A., IJdo, D. J. W. & Plaisier, J. R. (1995). Mater. Res. Bull. 30, 967-973.
Brese, N. E. & O'Keeffe, M. (1991). Acta Cryst. B47, 192-197.
Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). J. Appl. Cryst. 38, 381-388.
Higashi, T. (1999). NUMABS. Rigaku Corporation, Tokyo, Japan.
ICSD (2009). Inorganic Crystal Structure Database. FIZ Karlsruhe, Germany, and the National Institute of Standards and Technology (NIST), USA.
Jerebtsov, D. A. & Mikhailov, G. G. (2001). Ceram. Int. 27, 25-28.
Momma, K. & Izumi, F. (2008). J. Appl. Cryst. 41, 653-658.
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku (2005). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sundberg, M. R., Lehtinen, M. & Kivekäs, R. (1987). Am. Mineral. 72, 173-177.

inorganic compounds