Supertetrahedral polyanionic network in the first lithium phosphidoindate Li3InP2- structural similarity to Li2SiP2and Li2GeP2and dissimilarity to Li3AlP2and Li3GaP2

Tassilo M.F. Restle, Volker L. Deringer, Jan Meyer, Gabriele Raudaschl-Sieber, Thomas F. Fässler

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

Phosphide-based materials have been investigated as promising candidates for solid electrolytes, among which the recently reported Li9AlP4displays an ionic conductivity of 3 mS cm−1. While the phases Li-Al-P and Li-Ga-P have already been investigated, no ternary indium-based phosphide has been reported up to now. Here, we describe the synthesis and characterization of the first lithium phosphidoindate Li3InP2, which is easily accessibleviaball milling of the elements and subsequent annealing. Li3InP2crystallizes in the tetragonal space groupI41/acdwith lattice parameters ofa= 12.0007(2) andc= 23.917(5) Å, featuring a supertetrahedral polyanionic framework of interconnected InP4tetrahedra. All lithium atoms occupy tetrahedral voids with no partial occupation. Remarkably, Li3InP2is not isotypic to the previously reported homologues Li3AlP2and Li3GaP2, which both crystallize in the space groupCmceand feature 2D layers of connected tetrahedra but no supertetrahedral framework. DFT computations support the observed stability of Li3InP2.

Original languageEnglish
Pages (from-to)1278-1285
Number of pages8
JournalChemical Science
Volume12
Issue number4
DOIs
StatePublished - 28 Jan 2021

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