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

被引:46
作者
SKAKLE, JMS [1 ]
MATHER, GC [1 ]
MORALES, M [1 ]
SMITH, RI [1 ]
WEST, AR [1 ]
机构
[1] RUTHERFORD APPLETON LAB,ISIS FACIL,DIDCOT OX11 0QX,OXON,ENGLAND
关键词
D O I
10.1039/jm9950501807
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
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页码:1807 / 1808
页数:2
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