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Preparation, Crystal Structure and Physical Properties of the Superconducting Cage Compound Ba3Ge16Ir4

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Nguyen,  Hong Duong
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Prots,  Yurii
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schnelle,  Walter
Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Baitinger,  Michael
Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin,  Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Nguyen, H. D., Prots, Y., Schnelle, W., Böhme, B., Baitinger, M., Paschen, S., et al. (2014). Preparation, Crystal Structure and Physical Properties of the Superconducting Cage Compound Ba3Ge16Ir4. Zeitschrift für anorganische und allgemeine Chemie, 640(5), 760-767. doi:10.1002/zaac.201300599.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-1680-4
Abstract
The cage compound Ba3Ge16Ir4 crystallizes with the Ba3Ge16Rh4 type of crystal structure, which represents a hierarchical derivative of the BaAl4 type. The crystal structure [Pearson symbol tI46, space group I4/mmm; a = 6.5312(2) angstrom, c = 22.2845(6) angstrom] was refined from single-crystal X-ray diffraction data. The phase was obtained after 10 d at 910 degrees C with small impurities of clathrate-I, BaGe7Ir2 and -Ge remaining at the grain boundaries. Ba3Ge16Ir4 is a Pauli-paramagnetic metal, which becomes superconducting below T-c = 5.1 K. Electronic structure and analysis of the chemical bonding were performed based on density functional theory calculations. The physical properties are discussed in comparison to the isotypic phase Ba3Ge16Rh4.