Abstract
The crystal structure of a low-temperature form, the phase II which is stable between about 280 and 140 K, of Ag7NbS6 has been analyzed through the Rietveld analysis process using powder X-ray diffraction data measured at 245 K. A commensurate modulated structure approach based on a superspace-group Pc(α 1/2 γ) with α = 1/4 and γ = 0 was adopted to obtain a smooth convergence in the structure refinement of Ag7NbS6II. The crystal data are expressed as α1, = 7·368, α2 = 14·770, α3 = 12·768 Å, β = (0·2500), β = 124·28°, V = 1148·9 Å3, Z = 4 in a four-dimensional formalism with a superspace-group B 1 Pc [or Pc(α1/2γ)], A = 29·47, B = 14·770, C = 12·768 Å, β = 124·28°, V = 4595·4 Å3, Z = 16 in a three dimensional formalism with a space group Cc.
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