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   https://doi.org/10.1002/zaac.202500006  

   Ghosh, Kowsik; Bobev, Svilen (May 2025, Zeitschrift für anorganische und allgemeine Chemie)

   Reported is the synthesis of a new polar intermetallic phase, Ca₄CdIn₂Ge₄, crystals of which can be readily obtained employing the In‐flux method. The structure and the chemical composition of the new compound are established based on single‐crystal X‐Ray diffraction and energy‐dispersive X‐Ray spectroscopy data. Ca₄CdIn₂Ge₄crystallizes in a monoclinic crystal system with the space groupC2/m(no. 12) with lattice parametersa = 16.7383(12) Å,b = 4.4235(3) Å,c = 7.4322(5) Å, andβ = 106.560(1)°. The structure can formally be classified as a variant of the Mg₅Si₆structure type (Pearson symbolmS22). Considering the InGe and CdGe interactions as mostly covalent, the polyanionic substructure can be rationalized as consisting of ribbons of edge‐shared [InGe₄] tetrahedra connected by Ge₂dimers and bridged by Cd atoms in nearly square‐planar environment. Chemical bonding analysis based on TB‐LMTO‐ASA calculations affirms the notion for covalent character of the GeGe bonding with the dimers. The calculations also show that the bonding in the tetrahedra is more covalent in character than the bonding in square‐planar fragments, with the CaGe interactions being the least covalent among all interactions, though not exactly ionic. 

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2. Influence of Polymorphism on the Electronic Structure of Ga ₂ O ₃

   https://doi.org/10.1021/acs.chemmater.0c02465  

   Swallow, Jack E.; Vorwerk, Christian; Mazzolini, Piero; Vogt, Patrick; Bierwagen, Oliver; Karg, Alexander; Eickhoff, Martin; Schörmann, Jörg; Wagner, Markus R.; Roberts, Joseph W.; et al (September 2020, Chemistry of Materials)

   The search for new wide-band-gap materials is intensifying to satisfy the need for more advanced and energy-efficient power electronic devices. Ga2O3 has emerged as an alternative to SiC and GaN, sparking a renewed interest in its fundamental properties beyond the main β-phase. Here, three polymorphs of Ga2O3, α, β, and ε, are investigated using X-ray diffraction, X-ray photoelectron and absorption spectroscopy, and ab initio theoretical approaches to gain insights into their structure–electronic structure relationships. Valence and conduction electronic structure as well as semicore and core states are probed, providing a complete picture of the influence of local coordination environments on the electronic structure. State-of-the-art electronic structure theory, including all-electron density functional theory and many-body perturbation theory, provides detailed understanding of the spectroscopic results. The calculated spectra provide very accurate descriptions of all experimental spectra and additionally illuminate the origin of observed spectral features. This work provides a strong basis for the exploration of the Ga2O3 polymorphs as materials at the heart of future electronic device generations. 

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3. Structure and Stability of the Iodide Elpasolite, Cs ₂ AgBiI ₆

   https://doi.org/10.1021/acs.chemmater.3c01511  

   Kluherz, Kyle T.; Mergelsberg, Sebastian T.; De Yoreo, James J.; Gamelin, Daniel R. (July 2023, Chemistry of Materials)
4. Synthesis and Structure of a Nonstoichiometric Zr _3.55 Pt ₄ Sb ₄ Compound

   https://doi.org/10.1021/acs.inorgchem.9b01170  

   Li, Sheng; Liu, Xiaoyuan; Sorolla, Maurice; McCandless, Gregory T.; Wu, Hanlin; Zhai, Huifei; Chan, Julia Y.; Lv, Bing (September 2019, Inorganic Chemistry)
5. Effects of Doping on the Crystal Structure of BiVO ₄

   https://doi.org/10.1021/acs.jpcc.9b05858  

   Laraib, Iflah; Carneiro, Marciano Alves; Janotti, Anderson (July 2019, The Journal of Physical Chemistry C)