The tin-rich copper lithium stannides
- Author(s)
- Siegfried Fürtauer, Herta S. Effenberger, Hans Flandorfer
- Abstract
The Sn rich ternary intermetallic compds. Li3Cu6Sn4 (CSD-427097) and Li2CuSn2 (CSD-427098) were synthesized from the pure elements by induction melting and annealing at 400°C. Structural investigations were performed by powder- and single-crystal XRD. Li3Cu6Sn4 crystallizes in space group P6/mmm; it is structurally related to but not isotypic with MgFe6Ge6 (a = 5.095(2) Å, c = 9.524(3) Å; wR2 = 0.059; 239 unique F2-values, 17 free variables). Li3Cu6Sn4 is characterized by two sites with a mixed Cu:Sn occupation. In contrast to all other Cu-Li-Sn compds. known so far, any mixed occupation was found for Cu-Li pairs only. In addn., one Li site is only half occupied. The second Sn rich phase is Li2CuSn2 (space group I41/amd, a = 4.4281(15) Å, c = 19.416(4) Å; wR2 = 0.033; 213 unique F2-values, 12 atom free variables); it is the only phase in the Cu-Li-Sn system which is noted for full ordering. Both crystal structures exhibit 3D-networks which host Li atoms in channels. They are important for understanding the lithiation mechanism in Cu-Sn electrodes for Li-ion batteries.
- Organisation(s)
- Department of Functional Materials and Catalysis, Department of Mineralogy and Crystallography
- Journal
- Zeitschrift für Kristallographie - Crystalline Materials
- Volume
- 230
- Pages
- 97-105
- No. of pages
- 9
- ISSN
- 2194-4946
- DOI
- https://doi.org/10.1515/zkri-2014-1778
- Publication date
- 11-2014
- 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
- Sustainable Development Goals
- SDG 7 - Affordable and Clean Energy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/c884355d-7c2b-47cf-b86b-02f74b69ef83