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Rigid unit modes in crystal structures with octahedrally coordinated atoms
Rigid crystal structures octahedrally coordinated atoms
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2012/3/31
The rigid unit mode analysis was initially developed to understand the phase transitions in aluminosilicate minerals containing corner-linked tetrahedra. Here the model is applied to a range of minera...
The coordination numbers of Na and K atoms in low albite and microcline as determined from a procrystal electron-density distribution
The coordination numbers Na and K atoms low albite microcline electron-density distribution
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2012/4/9
Procrystal modelsfor the electron-density distributions oflow albite and microcline were constructed by placing spherically averaged Clementi-Roetti atomic wave functions at ex-perimentally observed a...
Activity/Composition Relations among Silicates and Aqueous Solutions: II. Chemical and Thermodynamic Consequences of Ideal Mixing of Atoms on Homological Sites in Montmorillonites, Illites, and Mixed-Layer Clays
Activity Atom mixing Illite Mixed layers Montmorillonite Thermodynamics
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2012/2/6
The activities of thermodynamic components of clay minerals corresponding in composition to pyrophyllite, muscovite, paragonite, and margarite were computed from chemical analyses reported in the lite...
Hydrogen Atoms in Boehmite: A Single Crystal X-Ray Diffraction and Molecular Orbital Study
Aluminum hydroxide Boehmite Crystal structure Electron density Hydrogen positions Molecular orbitals Single crystal
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2012/2/8
The crystal structure of natural boehmite, AlOOH, from Tveidalen, Langesundsfjorden, Norway, with a = 3.693(1), b = 12.221(2) and c = 2.865(1) Å, was refined from single crystal X-ray diffractio...