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- W2073130129 abstract "The distribution of Al atoms in the gmelinite framework was examined for three models: (1) the conventional unit cell with no assumption of space group; (2) the conventional unit cell with an assumption of a 3-fold axis at the center of main channels, and (3) the super lattice composed of three unit cells with a 3-fold axis at the center of main channels. The final structural models for the ordered Al distribution in the gmelinite framework is based on model 1, with the noncentrosymmetric space group P2, which is much lower than the conventional space group P63/mmc. The estimated 29Si NMR spectrum from the ordered distribution was in excellent agreement with the observed spectrum. The spectrum derived from model 2 was unsuitable to fit the observed spectrum. The spectrum from model 3 resembles the observed spectrum, but the agreement is not as close as between model 1 and the observed spectrum. These results suggest that the configuration derived from model 1 is the most suitable as the ordered Al distribution of gmelinite framework." @default.
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- W2073130129 date "2000-04-06" @default.
- W2073130129 modified "2023-10-04" @default.
- W2073130129 title "Ordered Distribution of Aluminum Atoms in a Gmelinite Framework" @default.
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- W2073130129 doi "https://doi.org/10.1021/jp994102r" @default.
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