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• W2017738432 abstract "Complete Ni2+ exchange of a single crystal of zeolite X of composition Na92Si100Al92O384 per unit cell was attempted at 73°C with flowing aqueous 0.05 M NiCl2 (pH=4.3 at 23°C). After partial dehydration at 23°C and ≈10−3 Torr for two days, its structure, now of composition Ni2(NiOH)35(Ni4AlO4)2(H3O)46Si101Al91O384 per unit cell, was determined by X-ray diffraction techniques at 23°C (space group Fd3̄, a0=24.788(5) Å). It was refined using all intensities; R1=0.080 for the 236 reflections for which Fo>4σ(Fo), and wR2=0.187 using all 1138 unique reflections measured. At four crystallographic sites, 45 Ni2+ ions were found per unit cell. Thirty of these are at two different site III′ positions. Twenty of those are close to the sides of 12-rings near O–Si–O sequences, where each coordinates octahedrally to two framework oxygens, to three water molecules which hydrogen bond to the zeolite framework, and to an OH− ion. The remaining 10 are near O–Al–O sequences; only three members of a likely octahedral coordination sphere could be found. In addition, two Ni2+ ions are at site I, eight are at site I′, and five are at site II. Forty six H3O+ ions per unit cell, 24 at site II′ and 22 at site II, each hydrogen bond triply to six rings of the zeolite framework. Each of the 22 H3O+ ions also hydrogen bonds to a H2O molecule that coordinates to a site III′ Ni2+ ion. Six of the eight sodalite cages each contain four H3O+ ions at site II′; the remaining two each contains a tetrahedral orthoaluminate anion at its center. Each tetrahedral face of each orthoaluminate ion is centered by a site I′ Ni2+ ion to give two Ni4AlO4 clusters. The five site II Ni2+ ions each coordinate to a OH− ion. With 46 H3O+ ions per unit cell, the great tendency of hydrated Ni2+ to hydrolyze within zeolite X is demonstrated. With a relatively weak single-crystal diffraction pattern, with dealumination of the zeolite framework, and with an apparent decrease in long-range Si/Al ordering likely due to the formation of antidomains, this crystal like others treated with hydrolyzing cations appears to have been damaged by Ni2+ exchange and partial dehydration." @default.
• W2017738432 created "2016-06-24" @default.
• W2017738432 creator A5033582432 @default.
• W2017738432 creator A5086064487 @default.
• W2017738432 date "2000-11-01" @default.
• W2017738432 modified "2023-09-30" @default.
• W2017738432 title "Crystal structure of zeolite X nickel(II) exchanged at pH 4.3 and partially dehydrated, Ni2(NiOH)35(Ni4AlO4)2(H3O)46Si101Al91O384" @default.
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• W2017738432 doi "https://doi.org/10.1016/s1387-1811(00)00184-0" @default.
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