An Unnoticed Inorganic Solid Electrolyte: Dilithium Sodium Phosphate with the Nalipoite Structure.

Solid electrolytes are crucial in the development of advanced lithium batteries and related technologies. Orthorhombic Li2NaPO4 (nalipoite) was synthesized, and its ionic conductivity compared very favorably with that of Li3PO4. The potential applicability of Li3-xNaxPO4 as a lithium ion solid electrolyte was investigated for first time. First-principles DFT calculations were used to evaluate the possibilities of preparing other crystal structures. [ABSTRACT FROM AUTHOR]