Crystal and electronic structure of the ternary Zintl bismuthide BaLiBi
Alexander Ovchinnikov,
Svilen Bobev
Abstract:Reported is the accurate refinement of the structure of the ternary bismuthide BaLiBi, based on single‐crystal X‐ray diffraction data. This compound crystallizes with the ZrBeSi structure type with the space group P63/mmc (no. 194), a = 4.9917(6) Å, c = 9.079(2) Å, V = 195.92(7) Å3 with two formula units per unit cell. In addition to being a colored ternary variant of the AlB2 type, the crystal structure of BaLiBi can be also viewed as a “stuffed” variant of the NiAs structure, where the Bi atoms form a hexago… Show more
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