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Figure 14
MD snapshot of the atomic configurations calculated for the (LiF:ThF4) = (0.5:0.5) composition at T = 920°C. Orange: Li+ ions; green: Th4+ ions; grey: F− ions. Li+–Th4+ pairs at a distance less than the minimum of the radial distribution function (3.2 Å) are shown as bonds and considered to belong to the coordination sphere of the thorium. Red: seven-coordinated Th4+; blue: edge-sharing polyhedra; orange: face-sharing polyhedra; brown: 7 Th-long chain.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 26| Part 1| January 2019| Pages 124-136
https://doi.org/10.1107/S160057751801648X
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