Refined Crystal Structure and Bond-Valence-Based Energy (BVE) Landscape (IMAGE)

Tokyo Institute of Technology

Refined Crystal Structure and Bond-Valence-Based Energy (BVE) Landscape

Caption

Yellow isosurface of the BVE at 0.8 eV suggests that the oxide ion migrates in the b direction along the edge/surface of light blue purple octahedra BO6 [B = Yb0.574(2)In0.426(2)] and purple octahedra CO6 [C = In0.574(2)Yb0.426(2)] where the number in the parenthesis is the estimated standard deviation.

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American Chemical Society

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