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Journal Article

Double-Icosahedral Li Clusters in a New Binary Compound Ba19Li44: A Reinvestigation of the Ba-Li Phase Diagram

MPS-Authors
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Smetana,  V.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society;

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Babizhetskyy,  V.
Department Quantum Materials (Hidenori Takagi), Max Planck Institute for Solid State Research, Max Planck Society;
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society;

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Vajenine,  G. V.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Hoch,  C.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons280526

Simon,  A.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Smetana, V., Babizhetskyy, V., Vajenine, G. V., Hoch, C., & Simon, A. (2007). Double-Icosahedral Li Clusters in a New Binary Compound Ba19Li44: A Reinvestigation of the Ba-Li Phase Diagram. Inorganic Chemistry, 46(13), 5425-5428.


Cite as: https://hdl.handle.net/21.11116/0000-000E-B625-B
Abstract
The binary Ba-Li system was reinvestigated for compositions with less than 80 at. % Li. A new compound, Ba19Li44, stable up to 126 degrees C, was found and structurally characterized. According to single-crystal X-ray diffraction data, the compound crystallizes in a new structure type with a tetragonal unit cell, space group I (4) over bar 2d, a = 16.3911(5) angstrom, c = 32.712(1) angstrom, Z = 4, and V = 8788.7(5) angstrom(3). It can be described as a complicated variant of the chalcopyrite structure. Typical for Li-rich phases, Ba19Li44 contains icosahedron-based polytetrahedral clusters.