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On the Location of Li + Cations in the Fast Li‐Cation Conductor La 0.5 Li 0.5 TiO 3 Perovskite
Author(s) -
Alonso José A.,
Sanz Jesús,
Santamaría Jacobo,
León Carlos,
Várez Alejandro,
FernándezDíaz Maria T.
Publication year - 2000
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/(sici)1521-3773(20000204)39:3<619::aid-anie619>3.0.co;2-o
Subject(s) - octahedron , perovskite (structure) , crystallography , conductor , neutron diffraction , lithium (medication) , chemistry , vertex (graph theory) , center (category theory) , materials science , crystal structure , combinatorics , mathematics , endocrinology , medicine , composite material , graph
Lithium cations sit in the center of the oxygen “windows” defined by the vertex‐sharing TiO 6 octahedra of the title compound (see picture), as shown from neutron diffraction data. The octahedra are tilted to optimize the bond distances between the atoms. The unusual coordination and the partially unoccupied sublattice (occupancy factors 1/6 and ½ for Li and La, respectively) account for the high mobility of the Li + cations.