Structure Refinement of the Semiconducting Compound $Cu_3TaS_4$ from X-Ray Powder Diffraction Data

The ternary compound $Cu_{3}TaS_{4}$ has been investigated by means of X-ray powder diffraction and its structure has been refined by the Rietveld method. This compound is isostructural with the sulvanite mineral $Cu_{3}VS_{4}$, and crystallizes in the cubic $P \bar{4} 3m$ space group (No. 215), Z = 1, with unit cell parameters a = 5.5145(1) Å and V = 167.70(1) $Å^{3}$. The refinement of 14 instrumental and structural parameters converged to $R_{p}$ = 4.4%, $R_{wp}$ = 6.8%, $R_{exp}$ = 5.5% and S = 1.2 for 4501 step intensities and 33 independent reflections.