Synthesis and structural study of the partially disordered complex hexagonal phase δ₁-MnZn_9.7

Area of Science:

• Materials Science
• Crystallography
• Solid-State Chemistry

Background:

• The δ₁-MnZn9.7 phase is a complex intermetallic compound.
• Understanding its crystal structure is crucial for materials science applications.

Purpose of the Study:

• To perform a detailed structural analysis of the Zn-rich δ₁-MnZn9.7 phase.
• To elucidate the atomic arrangement and bonding within this phase.

Main Methods:

• Synthesis of the δ₁ phase via a high-temperature route.
• Single-crystal X-ray diffraction for detailed structural determination.

Main Results:

• The structure crystallizes in space group P6₃/mmc (hP556) with specific unit-cell parameters.
• 556 atoms occupy 52 Wyckoff positions, including ordered and disordered Zn sites and ordered Mn sites.
• The structure is characterized by Frank-Kasper polyhedra and various clusters, including a supercluster and an extended Pearce cluster.

Conclusions:

• The detailed structural model provides insights into the complexity of the δ₁-MnZn9.7 phase.
• The presence of disordered Zn sites suggests dynamic atomic arrangements.
• This work contributes to the fundamental understanding of manganese-zinc intermetallics.