Extended Data Figure 7: Experimental and simulated data for the CHA framework.
From: Predicting crystal growth via a unified kinetic three-dimensional partition model
a, b, The CHA structure consists of two tiles (a) connected in a monoclinic lattice (b). c, Typical silicoaluminophosphate (SAPO-34) crystals show distorted cube morphology when viewed using SEM, exhibiting {100} faces with isotropic growth of terraces. d, e, Many screw dislocations can be observed in this system (e) and one such dislocation with a screw core running along [100] is reproduced by simulations (d); ΔUs = 2 kcal mol−1. f, Simulations predict that the surface terminates at the double 6-rings. The simulated crystal shown in d has an approximate size of 1.50 μm × 0.10 μm × 0.10 μm due to elongation caused by the screw dislocation.
