Crystal energy calcns. indicate that in mazzite dehydrated at 600°, the structure is more stable when the H2O mol. W(2) occupies a site located at a coordination distance from Mg rather than when it is statistically distributed over the 2 possible sites. The increase of energy due to the Mg-W(2) coordination (12 kcal/mol) is considerable although repulsion between Mg and the H atoms gives the H2O mol. a less stable orientation. The Si-Al distribution in the tetrahedra of the 6-membered rings dets. the orientation of the H2O mols.
Crystal energies and coordination of ions in partially occupied sites: dehydrated mazzite / A., Alberti; Vezzalini, Maria Giovanna. - In: BULLETIN DE MINERALOGIE. - ISSN 0180-9210. - STAMPA. - 104:(1981), pp. 5-9.
Crystal energies and coordination of ions in partially occupied sites: dehydrated mazzite
VEZZALINI, Maria Giovanna
1981
Abstract
Crystal energy calcns. indicate that in mazzite dehydrated at 600°, the structure is more stable when the H2O mol. W(2) occupies a site located at a coordination distance from Mg rather than when it is statistically distributed over the 2 possible sites. The increase of energy due to the Mg-W(2) coordination (12 kcal/mol) is considerable although repulsion between Mg and the H atoms gives the H2O mol. a less stable orientation. The Si-Al distribution in the tetrahedra of the 6-membered rings dets. the orientation of the H2O mols.
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