X-ray study of K₆LiFe₂₄S₂₆Cl, a djerfisherite-like compound Available to Purchase

The X-ray powder diffraction pattern of a djerfisherite-like compound, K₆LiFe₂₄S₂₆Cl, recovered as one of the reaction products in a battery development program at Argonne National Laboratory, is similar to that of the mineral which occurs in meteorites and in terrestrial vein deposits. A structure of this compound, proposed on the basis of the X-ray data, was refined to an R of 0.06 using 38 FeK⍺/Mn reflection data. The cell is cubic, probable space group is Рm3m and a = 10.358 ± 0.005 A. The structure has clusters of eight edge-shared FeS₄ tetrahedra about the face-centers of the cube similar to that in pentlandite. Potassium, chlorine, and lithium atoms are distributed among these clusters.