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

Gustavo Marroquín, Gerzon E. Delgado

• The crystal structure of the quaternary compound CuVInSe_(3), 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¯42c (N◦ 112), with unit cell parameters a = 5.7909(4) Å, c = 11.625(1) A, ˚ V = 389.84(5) A˚ 3 . The Rietveld refinement of 25 instrumental and structural variables led to Rexp = 6.6%, Rp = 8.7 %, Rwp = 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.