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Low‐temperature phase of Ga 3 Ir: Crystal structure and chemical bonding
Author(s) -
CardosoGil Raúl,
CarrilloCabrera Wilder,
Wagner Frank R.,
Grin Yuri
Publication year - 2021
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.202100247
Subject(s) - crystallography , chemical bond , annealing (glass) , diffraction , crystal structure , infrared spectroscopy , x ray crystallography , infrared , electron diffraction , materials science , powder diffraction , chemistry , physics , optics , metallurgy , organic chemistry
lt ‐Ga 3 Ir is a low‐temperature phase in the Ga−Ir system, which is stable below 530 °C. The sample of lt ‐Ga 3 Ir was obtained after annealing at 400 °C for 96 hours. The crystal structure of lt ‐Ga 3 Ir 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 Fe 3 C, space group Pnma , a =6.9073(4) Å, b =7.7275(4) Å and c =4.8536(2) Å, Z =4, Pearson symbol oP 16. 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.