Lithium-Transition Metal-Tetrelides – Structure and Lithium Mobility

Abstract

Lithium / Tetrelides / Ionic Mobility / Crystal ChemistryLithium-transition metal (T)-tetrelides (tetr. = C, Si, Ge, Sn, Pb) are an interesting class of materials with greatly differing crystal structures. The transition metal and tetrel atoms build up covalently bonded networks which leave cavities or channels for the lithium atoms. Depending on the bonding of the lithium atoms to the polyanionic network one observes mobility of the lithium atoms. The crystal chemistry, chemical bonding, 7 Li solid state NMR, and the electrochemical behavior of the tetrelides are reviewed herein.

AB-INITIO CALCULATIONS OF STRUCTURAL, ELECTRONIC AND MAGNETIC PROPERTIES OF LiRh2Si2

“…Although many compounds with quite expensive noble metals have been studied, they are important model compounds in order to understand the structure-property relationships. These materials have intensively been investigated in recent years with respect to their structural chemistry and potential use as electrode materials in lithium batteries [1]. Nano-and bulk-silicon have intensively been studied in recent years with respect to lithiation for use as alternative electrode materials in lithium-ion batteries [2].…”

Quaternary Germanides RE3TRh4Ge4 (RE = Ce, Pr, Nd; T = Nb, Ta) – A New Coloring Variant of the Aristotype AlB2

“…A remarkable example is the germanide TaRhGe, [3] which was obtained as a by-product during synthesis attempts of lithium-rhodium-germanides. [4] A targeted synthesis of Ce 3 TaRh 4 Ge 4 structure. Another remarkable structural feature concerns the tantalum coordination with six shorter Ta-Rh bonds (265-266 pm) and six longer Ta-Ge bonds (294-295 pm).…”

“…Another remarkable structural feature concerns the tantalum coordination with six shorter Ta-Rh bonds (265-266 pm) and six longer Ta-Ge bonds (294-295 pm). The [Rh 4 Ge 4 ] network fully separates the tantalum and cerium atoms (Ce-Ce Ͼ 387 pm, Ta-Ta Ͼ 431 pm, and Ce-Ta Ͼ 359 pm). The electronic density of states DOS from DFT calculations show metallic behavior with large contributions of localized Ce 4f as well as itinerant ones from all constituents at the Fermi level but no significant magnetic polarization on Ce could be identified.…”

SrCo2Sn8 and BaCo2Sn8: Tin-rich Stannides with Distorted SnSn6 Octahedra within Three-dimensional [Co2Sn8] Networks

“…The only known ternary lithium compound is LiCoSn 6 [8,9]. The cobalt atoms in LiCoSn 6 have similar square-antiprismatic coordination as in CoSn 2 and CoSn 3 .…”

“…The cobalt atoms in LiCoSn 6 have similar square-antiprismatic coordination as in CoSn 2 and CoSn 3 . The second alkali metal stannide is the recently reported Zintl phase K 5−x Co 1−x Sn 9 with endohedral [Co@Sn 9 ] 5− cluster units [10]. The structure of Mg 2 Co 3 Sn 10+x [11] has cobalt in two different coordinations.…”