Preparation, differential thermal analysis and crystal structure of the new quaternary compound CuVInSe3

The crystal structure of the quaternary compound CuVInSe3, belonging to the system (CuInSe2)(1-x) (VSe)(x) with x = 1/2, was analyzed using X-ray powder diffraction data. This material was synthesized by the melt and anneal method and crystallizes in the tetragonal space group P (4) over bar 2c (N degrees 112), with unit cell parameters a = 5:7909(4) angstrom, c = 11:625(1) angstrom, V = 389:84(5) angstrom(3). The Rietveld refinement of 25 instrumental and structural variables led to R-exp = 6:6 %, R-p = 8:7 %, R-wp = 8:8 % and S = 1:3 for 4501 step intensities, and 153 independent reflections. This compound has a normal adamantane structure and is isostructural with CuFeInSe3. The DTA indicates that this compound melts at 1332 K.