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 BaGa2–xSn4+x (x ≈ 0.2) with a Clathrate-like Structure

doi:10.3390/cryst1030145

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

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Ternary Compounds in the Sn-Rich Section of the Ba–Ga–Sn System: Ba₈Ga_16–xSn_30+x (1.1 ≤ x ≤ 2.8) Clathrates of Type-I and Type-VIII, and BaGa₂_–xSn₄_+x (x ≈ 0.2) with a Clathrate-like Structure

Marion C. Schäfer¹, Yuki Yamasaki^1,2, Veronika Fritsch³ and Svilen Bobev^1,*

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 BaGa_1.79Sn_4.21(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—Ba₈Ga_14.5Sn_31.5(4) (K₄Si₂₃ structure type; cubic space group , Pearson symbol cP54; a = 11.6800(12) Å), and Ba₈Ga_13.2Sn_32.8(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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Cite This Article

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: Ba₈Ga_16–xSn_30+x (1.1 ≤ x ≤ 2.8) Clathrates of Type-I and Type-VIII, and BaGa₂_–xSn₄_+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: Ba₈Ga_16–xSn_30+x (1.1 ≤ x ≤ 2.8) Clathrates of Type-I and Type-VIII, and BaGa₂_–xSn₄_+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: Ba₈Ga_16–xSn_30+x (1.1 ≤ x ≤ 2.8) Clathrates of Type-I and Type-VIII, and BaGa₂_–xSn₄_+x (x ≈ 0.2) with a Clathrate-like Structure." Crystals 1, no. 3: 145-162.

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