 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 4]](bm5061fig4mag.jpg)
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Figure 4
Analysis of the structures on the crystal energy landscape of phloroglucinol dihydrate (XIV) (Braun et al., 2012  ). Group A (green triangle) structures match the proton disordered experimental structure, whereas group B (blue diamond) structures differ in the layer structure and so provide a model for the intergrowths that result in morphological features and diffuse scattering. Top, left to right: the hydrogen-bonding directionality which produces the proton disorder in the average X-ray structure below, protons are otherwise omitted for clarity: the two hydrogen-bonded chains of phloroglucinol and water (red) molecules, whose contrasting layer structures support the intergrowth structure below. The energy differences between these structures support this model for the disorder. |
![[Figure 4]](bm5061fig4.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
