Crystal structure refinement of the semiconducting compound Cu2SnSe3 from X-ray powder diffraction data

The semiconducting compound Cu{sub 2}SnSe{sub 3} has been investigated by means of X-ray powder diffraction and its structure has been refined by the Rietveld method. The compound crystallizes in the monoclinic space group Cc (C{sub s}{sup 4}, No. 9), Z=4, with unit cell parameters a=6.9670(3) A, b=12.0493(7) A, c=6.9453(3) A, {beta}=109.19(1) deg. , and V=550.6(5) A{sup 3}. The refinement of 36 instrumental and structural parameters converged to R{sub p}=6.1%, R{sub wp}=8.6%, R{sub exp}=5.7%, R{sub B}=6.4%, S=1.5, for 4501 step intensities and 280 independent reflections. The structure of Cu{sub 2}SnSe{sub 3} can be described as an adamantane compound derivative of the sphalerite structure.