ChemInform Abstract: α- and β-BaCu2X2 (X: S, Se) — Preparation of Single Crystals in Potassium Chalcogenocyanate Fluxes.
Abstract
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ChemInform Abstract
The title compounds are prepared by reaction of BaX (X: S, Se), Cu, and elemental S or Se (1:2:1) in a potassium thio- or selenocyanate flux (480 °C, 24 h). Single crystal XRD data confirm the known structure of the α-BaCu2X2 phases (space group Pnma, Z = 4) and the expected BaZn2P2 type structure for the β-modification (space group I4/mmm, Z = 2). α-BaCu2S2 transforms irreversibly into β-BaCu2S2 at 550 °C. Structural relationships between the two structure types are described.
