Lone Pair Induced 1D Character and Weak Cation-Anion Interactions: Two Ingredients for Low Thermal Conductivity in Mixed-Anion Metal Chalcohalide CuBiSCl.

Mixed-anion compounds, which incorporate multiple types of anions into materials, display tailored crystal structures and physical/chemical properties, garnering immense interest in various applications such as batteries, catalysis, photovoltaics, and thermoelectrics. However, detailed studies regarding correlations among crystal structure, chemical bonding, and thermal/vibrational properties are rare for these compounds, which limits the exploration of mixed-anion compounds for associated thermal applications. In this work, we investigate the lattice dynamics and thermal transport properties of the metal chalcohalide, CuBiSCl.

ATiNbO (A = H, Li and K) family: ionic exchange, physical and electrochemical properties.

A new layered titanoniobate, LiTiNbO, a member of the AMO family, has been synthesized using a molten salt reaction between HTiNbO and an eutectic mixture of LiOH and LiNO. This compound crystallizes in the 2/ space group with = 9.273(15) Å, = 3.

Three-Fold Coordination of Copper in Sulfides: A Blockade for Hole Carrier Delocalization but a Driving Force for Ultralow Thermal Conductivity.

Copper-rich sulfides are very promising for energy conversion applications due to their environmental compatibility, cost effectiveness, and earth abundance. Based on a comparative analysis of the structural and transport properties of CuBiS with those of tetrahedrite (CuSbS) and other Cu-rich sulfides, we highlight the role of the cationic coordination types and networks on the electrical and thermal properties. By precession-assisted 3D electron diffraction analysis, we find very high anisotropic thermal vibration of copper attributed to its 3-fold coordination, with an anisotropic atomic displacement parameter up to 0.

A robust ultra-microporous cationic aluminum-based metal-organic framework with a flexible tetra-carboxylate linker.

Al-based cationic metal-organic frameworks (MOFs) are uncommon. Here, we report a cationic Al-MOF, MIP-213(Al) ([Al(μ-OH)(OH)(mdip)]6Cl·6HO) constructed from flexible tetra-carboxylate ligand (5,5'-Methylenediisophthalic acid; Hmdip). Its crystal structure was determined by the combination of three-dimensional electron diffraction (3DED) and high-resolution powder X-ray diffraction.