C. Mujica et al., SYNTHESIS AND CRYSTAL-STRUCTURE OF LAYERED CHALCOGENIDES [KCUFES2 ANDKCUFESE2], Materials research bulletin, 29(3), 1994, pp. 263-268
The new layer chalcogenides KCuFeS2 and KCuFeSe2 have been prepared fr
om the copper iron chalcogenide and potassium carbonate. Both phases c
rystallize with tetragonal symmetry , in the space group I4/mmm (Nr 13
9) with a=383.7 (1) pm , c=1338.4 (4) pm and a=397.9 (2) pm , c=1378.7
(54) pm respectively in the ThCr2Si2-type structure. The chalcogen at
oms form bidimensional layers of edge sharing pyramids. Copper and iro
n are statistically distributed in tetrahedral sites. The potassium io
ns are placed in cubic sites between the layers.