Crystal structure of a Zn-doped derivative of the Li17Ge4 compound

The compound Li17−ɛZnɛGe4 has been obtained as a side product during the preparation of the intermetallic compound Li8Zn2Ge3 from the elements. Its structure has been determined from single crystal X-ray diffraction intensities measured at 173 K. It crystallizes in the cubic system, F4¯3m space group, a = 18.842(1) Å, Z = 20. Its crystal structure is slightly different from those so far reported in the literature for the Zn-free phase Li17Ge4, particularly concerned are the positions and the site occupations of Li atoms. Most likely, these structural variations result from the presence of a small Zn concentration in the compound. The Zn doping atom has been found only at the specific Li 4d site (about 3 at.% Zn).