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Title
| - Ordered Distribution of Aluminum Atoms in a Gmelinite Framework
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Abstract
| - The distribution of Al atoms in the gmelinite framework was examined for three models: (1) the conventionalunit cell with no assumption of space group; (2) the conventional unit cell with an assumption of a 3-foldaxis at the center of main channels, and (3) the super lattice composed of three unit cells with a 3-fold axisat the center of main channels. The final structural models for the ordered Al distribution in the gmeliniteframework is based on model 1, with the noncentrosymmetric space group P2, which is much lower than theconventional space group P63/mmc. The estimated 29Si NMR spectrum from the ordered distribution was inexcellent agreement with the observed spectrum. The spectrum derived from model 2 was unsuitable to fitthe observed spectrum. The spectrum from model 3 resembles the observed spectrum, but the agreement isnot as close as between model 1 and the observed spectrum. These results suggest that the configurationderived from model 1 is the most suitable as the ordered Al distribution of gmelinite framework.
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