Year: 2024
Type: article
Abstract: The intermetallic compound BaAu3Zn2 has been synthesized through fusion of stoichiometric metals in sealed Ta tube at 800 °C using high-frequency furnace followed by annealing at 400°C for two weeks. The synthesized compound characterized by powder, single crystal X-ray diffraction techniques. BaAu3Zn2 crystallized in the orthorhombic system with space group Pnma and Pearson symbol - oP24 and utilizes the same set of Wyckoff sequence (dc4 ) as SrZn5 structure where Au atoms replace Zn atoms on 4c Wyckoff sites with different bonding patterns. The structure contains three structural motifs (a) Hexagonal-diamond-like gold host lattice (b) Interstitial Ba atoms (blue) and (c) Infinite linear chains along b axis formed by only Zn atoms (green). Bonding analyses indicate a typical polar intermetallic behavior for BaAu3Zn2. Keywords: Polar intermetallics; gold rich phases; LMTO-ASA approximation; isotropic deformation; DOS and COHP calculations; X-ray diffraction.
DOI: 10.55041/ijsrem40024
Authors: Trinath Mishra, Ram Dulare
Language: English
Subfield: Mechanical Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W4405692138