The Zr 5 Sn 3 intermetallic compound has been studied as a possible anode material for lithium-and magnesium-ion batteries. The Zr 5 Sn 3 Li x electrodes provide a reversible specific capacity of 160-140 mAh g −1 , whereas Zr 5 Sn 3 Mg x electrodes yield a slightly lower capacity of 110-95 mAh g − 1 . The lithiation and magnesiation of Zr 5 Sn 3 were investigated by means of X-ray, scanning electron microscopy, microprobe analyses, and electrochemical measurements. The electrochemical lithiation and magnesiation occurs in two stages, the first is the insertion of Li/Mg into structural voids, and the second stage is the decomposition of the hexagonal phase into new phases and substitution of tin atoms by Li/Mg.

Key indicators: single-crystal X-ray study; T = 293 K; mean (Tb-Sn) = 0.001 Å; R factor = 0.021; wR factor = 0.066; data-to-parameter ratio = 15.4.The new ternary phase pentaterbium lithium tristannide, Tb 5 LiSn 3 , crystallizes in the hexagonal Hf 5 CuSn 3 structure type, which is a 'filled' version of the binary RE 5 Sn 3 phases (Mn 5 Si 3 -type) (RE is rare earth). The asymmetric unit contains two Tb sites (site symmetries 3.2 and m2m), one Li site (site symmetry 3.m) and one Sn site (site symmetry m2m). The 14-vertex Frank-Kasper polyhedra are typical for Li and Tb atoms. The environment of the Sn atom is a pseudo-FrankKasper polyhedron with a coordination number of 13 for the tin atom. One of the Tb atoms is enclosed in a 17-vertex polyhedron. The metallic type of bonding was indicated by an analysis of the interatomic distances. (1989, 1991, 1993). For the magnetic properties of related compounds, see: Tran et al. (2008). Related literature ExperimentalCrystal data

The process of the incorporation of lithium atoms into the binary oxide ZnO and the structure of the ternary phase Li2xZn1–xO have been investigated experimentally (by means of X‐ray single‐crystal and powder diffraction analyses, differential scanning calorimetry and thermogravimetry) and theoretically (electronic structure calculations with the program TB‐LMTO‐ASA, TB‐LMTO = tight‐binding linear muffin‐tin orbital). The formation of the disordered Li2xZn1–xO phase occurs under the action of two processes: the inclusion of additional lithium atoms at the 2a site (x = 0, y = 0, z = 0.124) and the the partial substitution of zinc atoms by lithium atoms at the 2b site (x = 1/3, y = 2/3, z = 0.379). At temperatures higher than 700 °C, the ternary phase begins to decompose.

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