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Figure 3
Observed electrostatic potential maps and corresponding framework structures of different zeolites solved using Instamatic-solve. Electrostatic potential maps were generated from the structure-factor data ( *.fcf) using the Fourier synthesis function in VESTA, revealing the 3D distribution of the electrostatic potential within the structure. SCM-25 (-HOS), zeolite Y (FAU), EMM-37 (ETV), RUB-13 (RTH), ZSM-5 (MFI), PST-14 (POR) and AlPO-34 (CHA) crystallize in orthorhombic, cubic, triclinic, monoclinic, orthorhombic, tetragonal and hexagonal systems, respectively. The electrostatic potential map for RTH is less well resolved, mainly due to the low data completeness (47.7%). The blue dashed frame highlights the disordered T atoms and missing O atoms in the SCM-25 framework. The red dashed frame indicates the positions of extra-framework water molecules and/or Na+ cations in FAU. |
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