An analysis of migration paths of Li+ cations in ternary oxygen-containing compounds Li p X q O r |
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| Authors: | N A Anurova V A Blatov G D Ilyushin O A Blatova A K Ivanov-Shitz and L N Dem&#;yanets |
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| Institution: | (1) Samara State University, ul. Akademika Pavlova 1, Samara, 443011, Russia;(2) Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskiĭ pr. 59, Moscow, 119333, Russia;(3) Samara State University of Architecture and Civil Engineering, ul. Molodogvardeyskaya 194, Samara, 443001, Russia |
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| Abstract: | A new method was developed for studying voids and channels in crystal structures based on the Voronoi-Dirichlet partition
of crystal space, and 822 structurally characterized ternary compounds Li
p
X
q
O
r
were analyzed for the first time. For these compounds, the dimensionality was determined and the migration patterns of channel
systems capable of providing lithium-ion transport were constructed. The calculated coordinates of lithium atoms in the centers
of the voids are consistent (within 0.4 ?) with the known structural data. Among these compounds, 113 compounds have infinite
channel systems, 60 compounds (18 structural types, STs) have been described earlier in the literature as solid electrolytes,
and 53 compounds (23 STs) can be considered as potential one-, two-, or three-dimensional ionic conductors (13, 3, and 7 STs,
respectively).
Original Russian Text ? N.A. Anurova, V.A. Blatov, G.D. Ilyushin, O.A. Blatova, A.K. Ivanov-Shitz, L.N. Dem’yanets, 2008,
published in Kristallografiya, 2008, Vol. 53, No. 6, pp. 987–993. |
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| Keywords: | |
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