Crystals 2011, 1(3), 145-162; doi:10.3390/cryst1030145
Article

Ternary Compounds in the Sn-Rich Section of the Ba–Ga–Sn System: Ba8Ga16–xSn30+x (1.1 ≤ x ≤ 2.8) Clathrates of Type-I and Type-VIII, and BaGa2xSn4+x (x ≈ 0.2) with a Clathrate-like Structure

1 Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716, USA 2 Department of Chemistry, Hosei University, Tokyo 194-0298, Japan 3 Physikalisches Institut, Karlsruher Institut für Technologie, D-76131 Karlsruhe, Germany
* Author to whom correspondence should be addressed.
Received: 18 July 2011; in revised form: 8 August 2011 / Accepted: 12 August 2011 / Published: 17 August 2011
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Abstract: Systematic syntheses in the Ba–Ga–Sn system confirmed the existence of a new ternary phase BaGa1.79Sn4.21(2) (EuGa2Ge4 structure type; orthorhombic space group Cmcm, Pearson symbol oS28) with lattice parameters a = 4.5383(6) Å, b = 12.2486(16) Å, c = 14.3747(19) Å. The structure is best viewed as an open-framework based on tetrahedrally coordinated Sn/Ga atoms with Ba atoms enclosed in the voids within it. The new phase co-precipitates with two other compounds with very similar compositions—Ba8Ga14.5Sn31.5(4) (K4Si23 structure type; cubic space group , Pearson symbol cP54; a = 11.6800(12) Å), and Ba8Ga13.2Sn32.8(3), (Eu4Ga8Ge15 structure type; cubic space group , Pearson symbol cI54; a = 11.5843(7) Å). Detailed discussion on how syntheses affect the crystal chemistry, and the temperature dependence of the atomic displacement parameters, obtained from single-crystal structure refinements, are also reported in this article.
Keywords: clathrate type-I; clathrate type-VIII; barium; gallium; tin; crystal structure

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MDPI and ACS Style

Schäfer, M.C.; Yamasaki, Y.; Fritsch, V.; Bobev, S. Ternary Compounds in the Sn-Rich Section of the Ba–Ga–Sn System: Ba8Ga16–xSn30+x (1.1 ≤ x ≤ 2.8) Clathrates of Type-I and Type-VIII, and BaGa2xSn4+x (x ≈ 0.2) with a Clathrate-like Structure. Crystals 2011, 1, 145-162.

AMA Style

Schäfer MC, Yamasaki Y, Fritsch V, Bobev S. Ternary Compounds in the Sn-Rich Section of the Ba–Ga–Sn System: Ba8Ga16–xSn30+x (1.1 ≤ x ≤ 2.8) Clathrates of Type-I and Type-VIII, and BaGa2xSn4+x (x ≈ 0.2) with a Clathrate-like Structure. Crystals. 2011; 1(3):145-162.

Chicago/Turabian Style

Schäfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen. 2011. "Ternary Compounds in the Sn-Rich Section of the Ba–Ga–Sn System: Ba8Ga16–xSn30+x (1.1 ≤ x ≤ 2.8) Clathrates of Type-I and Type-VIII, and BaGa2xSn4+x (x ≈ 0.2) with a Clathrate-like Structure." Crystals 1, no. 3: 145-162.

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