![]() ![]() However, the crucial role of Cd in the flux growth of new intermetallic compounds makes the current study fit into this special issue on Crystal Growth Under Extreme Conditions. Due to its low boiling point, Cd is also far from an ideal solvent for high-temperature reactions. those with divalent Mg and Cd ( Zürcher et al., 2001 Ovchinnikov and Bobev, 2019 Baranets et al., 2021b), attesting to the importance of the valence electron count for the peculiarities of each structure.Ĭadmium metal is known to have considerable toxicity with a destructive impact on most living systems. The differences are most pronounced between the structures with trivalent In vs. On this note, it is instructive to mention that despite the resemblance between the chemical compositions, and structures of BaMg 2Li 2Ge 2 and BaLi 2Cd 2Ge 2 as compared to BaLi 2+ xIn 2– xGe 2, all three phases show subtly different bonding characteristics. BaLi 2Cd 2Ge 2 ( Baranets et al., 2021), on the other hand, was found to be less flexible as far as the structure is concerned, just like its quaternary BaMg 2Li 2Ge 2 analog ( Zürcher et al., 2001). The structure of this indium-germanide was found to respond to small changes in the chemical composition (alterations of the Li/In ratio) by virtue of cleaving homoatomic In–In bonding ( Ovchinnikov and Bobev, 2019). As noted therein, our synthetic approach employed molten In and Cd as metal fluxes, allowing us to grow crystals of the quaternary phases, BaLi 2+ xIn 2– xGe 2 (0 ≤ x ≤ 0.66) and BaLi 2Cd 2Ge 2 (CaCu 4P 2 type, space group R 3 ¯ m Pearson code hR7). In recent papers, we described new results from our exploratory work in the Ba–Li–In–Ge ( Ovchinnikov and Bobev, 2019) and Ba–Li–Cd–Ge systems ( Baranets et al., 2021b). Finally, the bonding characteristics of the cubic BaLi xCd 13– x ( x ≈ 2) and tetragonal BaCd 11 are investigated using the TB-LMTO-ASA method, showing metallic-like behavior. 26 e-, suggesting that both electronic and geometric factors are at play. ![]() 27 e-per formula unit for many known compounds with the NaZn 13 structure type, BaLi xCd 13– x ( x ≈ 2) only has ca. ![]() As opposed to the typical electron count of ca. Since a cubic BaCd 13 phase does not exist, and the tetragonal BaCd 11 is the most Cd-rich phase in the Ba–Cd system, BaLi xCd 13– x ( x ≈ 2) has to be considered as a true ternary compound. Structure refinements from single-crystal X-ray diffraction data demonstrate that the Li atoms are exclusively found at the centers of the Cd 12-icosahedra. BaLi xCd 13– x ( x ≈ 2) adopts the cubic NaZn 13 structure type (space group Fm 3 ¯ c, Pearson symbol cF112) with unit cell parameter a = 13.5548 (10) Å.
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