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Fig. 5


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Left hand plot presents the cubic unit cell of UO2: a = b = c and α = β = γ = 90°. Blue and red spheres represent respectively uranium and oxygen atoms. Right hand plot presents the tetragonal unit cell of MgH2 or MgD2: b = c and α = β = γ = 90°. Orange spheres represent magnesium atoms. Pink spheres represent hydrogen or deuterium atoms. The drawings of these two figures are with the aid of the Crystal Toolkit in the Materials Project [46].

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