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The anion position parameter chi of NiS4 cluster formed in the ternary semiconductor CuGaS2 by substitution of Ni+ for Cu+ has been determined by studying the optical spectra and EPR data for CuGaS2:Ni+. The result (chi approximate to 0.263(1)) is consistent with the mean value of the X-ray measurement results reported in two groups of references and also with the calculated value obtained from the conservation of tetrahedral bonds (CTB) plus eta = eta(tet) rule (where eta = c/2a). So, we suggest that the anion position parameter chi in pure CuGaS2 crystal is close to the above value obtained by use of Ni+ ion probe. The optical absorption bands and g factors g(parallel to), g(perpendicular to), of CuGaS2: Ni+ are therefore explained reasonably from the anion position parameter. (C) 2003 Elsevier B.V. All rights reserved.

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