 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 2]](lo5066fig2mag.jpg)
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Figure 2
Schematic representation of the cut-off parameters used in the Voronoï analysis of neighbors: (a) distance cut-off and (b) angle cut-off. (a) Distance cut-off parameter κ. dXmin is the distance to the closest neighbor (one of the dark blue atoms). Any atom that lies outside the sphere of radius ![[\kappa\times d^{X}_{{\rm min}}]](teximages/lo5066fi60.gif) (in dashed orange) is not considered as a coordinated neighbor. Atoms at the corner (in light blue) are not considered as neighbors. (b) Angle cut-off parameter γ. ![[\Omega^X_{{\rm max}}]](teximages/lo5066fi61.gif) is the largest solid angle to a neighbor atom. Any atom for which the solid angle is smaller than ![[\gamma\times\Omega^X_{{\rm max}}]](teximages/lo5066fi13.gif) (in orange) is not considered as a coordinated neighbor. Atoms at the corner (in light blue) are not considered as neighbors. [Adapted with permission from D. Waroquiers et al. (2017 ).] |
![[Figure 2]](lo5066fig2.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
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