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Various lattice defects in the αI‐phase of quinacridone (C20H12N2O2) were simulated using lattice‐energy minimizations. αI‐Quinacridone forms a chain structure in P1, Z = 1. The molecules are connected by hydrogen bonds along [010], by π‐stacking along [100] and by weak van der Waals interactions along [001]. αI‐Quinacridone is inherently nanocrystalline. Lattice defects were calculated in correspondingly...