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

Author(s)
Alexander Beutl, Herta Silvia Effenberger, Hans Flandorfer
Abstract

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 F4?3m, a=6.248(2) Å) and Cu

2-x Li

1-x Sb hexagonal (space group P6

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 Fm3?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

3Sb (P6

3/mmc and Fm3?m modifications), β-Cu

3Sb (Fm3?m), η-Cu

2Sb (P4/nmm) and δ-Cu

4Sb (P6

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.

Organisation(s)
Department of Functional Materials and Catalysis, Department of Mineralogy and Crystallography
Journal
Zeitschrift für Kristallographie - Crystalline Materials
Volume
232
Pages
735-749
No. of pages
15
ISSN
2194-4946
DOI
https://doi.org/10.1515/zkri-2017-2061
Publication date
06-2017
Peer reviewed
Yes
Austrian Fields of Science 2012
104003 Inorganic chemistry, 104011 Materials chemistry, 105113 Crystallography
Keywords
ASJC Scopus subject areas
Condensed Matter Physics, General Materials Science, Inorganic Chemistry
Portal url
https://ucrisportal.univie.ac.at/en/publications/3174ac6a-d0cd-429b-88e7-bb17a45192eb