Abstract
AbstractThe melting reaction of copper, CuCl, sulfur, and Bi2S3 yields black, shiny needles of the sulfide chloride Cu7Bi6S10Cl5. The compound decomposes peritectically above 639(5) K. Cu‐K‐XANES data confirm the oxidation state +I of Cu. Cu7Bi6S10Cl5 crystallizes in the monoclinic space group C2/m with a = 2878.3(9) pm, b = 396.59(9) pm, c = 1156.5(4) pm, and β = 111.55(3)° at T = 293(2) K. Three sulfur and four chlorine anions coordinate each of the three independent bismuth cations in the shape of mono‐capped trigonal prisms. The [BiS3Cl4] polyhedra share edges and faces resulting in furrowed layers parallel ($\bar2$01). Localized as well as disordered copper cations occupy trigonal or tetrahedral voids in the packing of anions. The Joint Probability Density Function (JPDF) reveals branched and unbranched continuous pathways along [010], which are available for cation conduction.
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