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In the course of studies on the phase relations in the system Cu−Li−Sb at 400 °C the ternary compounds CuLi 2− x   Sb, Cu 2− x   Li 1+ x   Sb and Cu 2− x   Li 1− x   Sb were synthesized by melting processes followed by long-time annealing procedures. They were chemically as well as structurally characterized. Powder and single-crystal X-ray diffraction investigations proved that CuLi 2− x   Sb crystallizes cubic (space group  F 4̅3 m ,  a =6.248(2) Å) and Cu 2− x   Li 1− x   Sb hexagonal (space group  P 6 3 / mmc ,  a =4.3415(8) Å,  c =7.448(2) Å). For Cu 2− x   Li 1+ x   Sb the average structure is cubic (space group  Fm 3̅ m ,  a =6.169(2) Å). However, it was not possible to unravel split reflections seen in the single-crystal diffraction images. Powder X-ray diffraction patterns gave a hint for tetragonal symmetry ( a =4.3832(1) Å,  c =6.0512(2) Å). It is assumed, that Cu 2− x   Li 1+ x   Sb is formed from Cu-rich CuLi 2− x   Sb in a second order transition reaction during cooling; single domains could not be separated. The three title compounds show close structural relations among each other as well as to the binary compounds Li 3 Sb ( P 6 3 / mmc  and  Fm 3̅ m  modifications),  β -Cu 3 Sb ( Fm 3̅ m ),  η -Cu 2 Sb ( P 4/ nmm ) and  δ -Cu 4 Sb ( P 6 3 / mmc ). In all cases, the Sb atoms are in a fully ordered ccp or hcp arrangement. In between are the Cu and Li atoms. They exhibit an extensive disorder due to both, mixed and partial occupations making the alloy system Cu–Li–Sb a candidate for electrode materials to be used in Li-ion batteries.

zeitschrift für kristallographie - crystalline materials

The ternary phases CuLi 2− x   Sb, Cu 2− x   Li 1+ x   Sb, and Cu 2− x   Li 1− x   Sb and their structural relations to binary alloys in the systems Cu−Sb and Li−Sb