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

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 b...

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Bibliographic Details
Published in:Zeitschrift für anorganische und allgemeine Chemie (1950) 2021-11, Vol.647 (22), p.2181-2187
Main Authors: Cardoso‐Gil, Raúl, Carrillo‐Cabrera, Wilder, Wagner, Frank R., Grin, Yuri
Format: Article
Language:English
Subjects:
Cementite
chemical bonding
Chemical bonds
Crystal structure
Electron diffraction
electron diffraction tomography
intermetallic compound
Iron carbides
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Summary: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.
ISSN:0044-2313
1521-3749
DOI:10.1002/zaac.202100247