Layered Mixed-Anion Chalcohalides Pb4Sb4Q9Cl2 (Q = S, Se): Puckered 2D Frameworks, Indirect Band Gaps, and Low Thermal Conductivity

Key Points

• The aim is to synthesize and characterize two mixed-anion chalcohalides, examining their structural and thermal properties.
• Synthesized Pb4Sb4S9Cl2 and Pb4Sb4Se9Cl2 using solid-state reactions.
• Characterized structures using crystallographic analysis in the orthorhombic space group Pbam.
• Measured thermal conductivity and band gap properties.
• Achieved successful synthesis of two distinct mixed-anion chalcohalides.
• Identified puckered two-dimensional frameworks in both compounds.
• Observed indirect band gaps and low thermal conductivity values.