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“Excess” electrons in LuGe

MPS-Authors
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Freccero,  Riccardo
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Hübner,  Julia-Maria
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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Schmidt,  Markus
Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Wagner,  Frank R.
Frank Wagner, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schwarz,  Ulrich
Ulrich Schwarz, 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

Freccero, R., Hübner, J.-M., Prots, Y., Schnelle, W., Schmidt, M., Wagner, F. R., et al. (2021). “Excess” electrons in LuGe. Angewandte Chemie International Edition, 60, 1-6. doi:10.1002/anie.202014284.


Cite as: http://hdl.handle.net/21.11116/0000-0007-E4CC-2
Abstract
Abstract The monogermanide LuGe is obtained via high-pressure high-temperature synthesis (5?15?GPa, 1023?1423?K). The crystal structure is solved from single-crystal X-ray diffraction data (structure type FeB, space group Pnma, a=7.660(2)?Å, b=3.875(1)?Å, and c=5.715(2)?Å, RF=0.036 for 206 symmetry independent reflections). The analysis of chemical bonding applying quantum-chemical techniques in position space was performed. It revealed?beside the expected 2c-Ge-Ge bonds in the germanium polyanion?rather unexpected four-atomic bonds between lutetium atoms indicating the formation of a polycation by the excess electrons in the system Lu3+(2b)Ge2??1?e?. Despite the reduced VEC of 3.5, lutetium monogermanide is following the extended 8-N rule with the trend to form lutetium-lutetium bonds utilizing the electrons left after satisfying the bonding needs in the anionic Ge-Ge zigzag chain.