CRYSTAL-STRUCTURE OF THE LI+ ION-CONDUCTING PHASES, LI-0.5-3X RE(0.5+X) TIO3 - RE=PR, ND, X-APPROXIMATE-TO-0.05: RE = Pr, Nd; x ≈ 0.05

Janet M.S. Skakle, Glenn C. Mather, Manuel Morales, Ronald I. Smith, Anthony R. West

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51 Citations (Scopus)

Abstract

The crystal structure of the C polymorph of the solid solutions, Li(0.5-3x)RE(0.5+x) TiO3 (RE = Pr, Nd) determined from powder neutron diffraction using Rietveld refinement, is an ordered perovskite of the GdFeO3 type, The structures of both phases are similar: the A sites contain (0.5+x) RE cations and (0.5-3x) off-centre lithium ions, with 2x sites vacant. Orthorhombic unit cell, RE = Nd: a = 5.43661 (7) Angstrom, b = 7.6647(1) Angstrom, c = 5.39752(7) Angstrom; RE = Pr: a = 5.43793(5) Angstrom, b = 7.66828(8) Angstrom, c = 5.40769(5) Angstrom; space group Pnma (no. 62), Conduction occurs by a Li+ vacancy mechanism through interconnecting A sites, avoiding those sites that are occupied by the RE cations.

Original languageEnglish
Pages (from-to)1807-1808
Number of pages2
JournalJournal of Materials Chemistry
Volume5
Issue number11
DOIs
Publication statusPublished - Nov 1995

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