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Low-temperature phase of Ga3Ir: Crystal structure and chemical bonding

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Cardoso-Gil,  Raúl
Raul Cardoso, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Carrillo-Cabrera,  Wilder
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126896

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

/persons/resource/persons126626

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

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Citation

Cardoso-Gil, R., Carrillo-Cabrera, W., Wagner, F. R., & Grin, Y. (2021). Low-temperature phase of Ga3Ir: Crystal structure and chemical bonding. Zeitschrift für anorganische und allgemeine Chemie, 647(22), 2181-2187. doi:10.1002/zaac.202100247.


Cite as: https://hdl.handle.net/21.11116/0000-0009-5B6E-7
Abstract
Abstract lt-Ga3Ir is a low-temperature phase in the Ga?Ir system, which is stable below 530?°C. The sample of lt-Ga3Ir was obtained after annealing at 400?°C for 96?hours. The crystal structure of lt-Ga3Ir was solved using 3D-ED electron diffraction data obtained by SA-EDT diffraction tomography, optimized by quantum-mechanical techniques and refined from the X-ray powder diffraction data: structure type Fe3C, space group Pnma, a=6.9073(4) Å, b=7.7275(4) Å and c=4.8536(2) Å, Z=4, Pearson symbol oP16. The striking feature of the chemical bonding is the absence of the two-atomic Ga?Ga bonds. The two-atomic Ga1?Ir and Ga2?Ir, as well as the three atomic Ga1?Ga2?Ir bonds, form the bonding pattern.