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. 2020 Aug 28;6(35):eabc2758. doi: 10.1126/sciadv.abc2758

Fig. 4. Two cation layers comprise the layer stacking model (32) that describes the pyrochlore structure.

Fig. 4

The fundamental building blocks contained within these two layers comprising the layer stacking model, (A) an A3B layer and an (B) AB3 layer, are shown (C) before and (D) after the motion of an oxygen anion from the 48f to the 8a Wyckoff equipoint. The cation coordination scheme is compared with (E) the DFT-relaxed weberite-type arrangement of Ho2Zr2O7. The dark brown polyhedra are eight coordinated, the light brown polyhedra are seven coordinated, and the green polyhedra are six coordinated. The viewing directions for (A) and (B) are [1 1 1]Fd-3m, [0 −1 1]Fd-3m for (C) and (D), and [0 1 0]C21/m for (E).