Preparation and Structure of a New Germanium Clathrate, Ba24Ge100

✍ Scribed by Hiroshi Fukuoka; Kazuhito Iwai; Shoji Yamanaka; Hideki Abe; Kenji Yoza; Ludger Häming

• Publisher: Elsevier Science
• Year: 2000
• Tongue: English
• Weight: 213 KB
• Volume: 151
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.2000.8632

✦ Synopsis

Single crystals of a new germanium clathrate, Ba 24 Ge 100 , were synthesized by the Czochralsky pulling method using a tetra-arc furnace under an Ar atmosphere. The crystal structure was studied by X-ray single-crystal analysis. The clathrate crystallized in the cubic space group P4 1 32 with a ‫؍‬ 14.5635(7) A > , V ‫؍‬ 3088.9(2) A > 3 . The 5nal re5nement using 903 unique re6ections converged at R ‫؍‬ 0.032 and R w ‫؍‬ 0.036. In the structure, germanium atoms are linked by sp 3 -bonds to form a threedimensional network, in which barium atoms are enclosed. There are three sites for the barium atoms having di4erent coordination environments. One site is in a Ge 20 dodecahedron and the others are coordinated with 20 Ge atoms and 8 Ge atoms, respectively.