Abstract
Abstract The crystal structure of CuBi5S8 has been determined using three-dimensional intensity data. The unit cell, with dimensions a = 13.214 ± 0.001, b = 4.025 ± 0.003, c = 14.087 ± 0.001 Å and β = 115.6° ± 0.03° contains two formula units. The space group is C 2h 3–C2/m. The structure was derived from the Patterson, Fourier and difference Fourier diagrams. The final discrepancy index R is 8.5%. The coordinations around the three independent Bi atoms are octahedral, trigonal pyramidal and square pyramidal. Two Cu atoms in the unit cell are distributed statistically in the fourfold position h (0,y,1/2) and their coordination polyhedra are distorted tetrahedra.
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