SYNTHESIS AND CRYSTAL-STRUCTURE OF CU2FESNSE4, A I-2 II IV VI4 SEMICONDUCTOR

The crystal structure of the room temperature phase of Cu2FeSnSe4, a m aterial belonging to the I-2 IIIV VI4 family of semiconducting compoun ds, has been examined by single crystal X-ray diffraction techniques. The present study showed that this material crystallizes in the tetrag onal space group <I(4)over bar 2m> [D-2d(11), No. 121] with a = 5.694( 2), c = 11.286(4) Angstrom, Z = 2, and is isotypic with stannite, a mi neral with ideal composition Cu2FeSnS4. The refinement of the structur e converged to the final disagreement factors R(F) = 0.0547, wR(F-2) = 0.1685 and S = 1.009 for the 151 averaged independent reflections mea sured with a four circle single crystal diffractometer. (C) 1997 Elsev ier Science B.V.