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Figure 3
Interatomic distances in the second (upper part) and first coordination spheres (lower part) for the M atoms as a function of the internal coordinate t. In the upper part, only the M—K2 curves are indicated, with the remaining curves corresponding to M—Mo distances. The average distances are represented by dotted lines. Owing to the symmetry of the M position, every curve indicates two symmetrically equivalent distances. The t ranges related to M = K1 and M = Yb are separated by solid vertical lines. The two t ranges located between the solid and dashed lines are associated with the mixed M = [K0.5Yb0.5] composition. The vertical dotted lines separating the t ranges relate to different crenel functions. The corresponding shapes of the [MOn] and [MMo6K2] polyhedra are also indicated.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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