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Electric field gradient tensors at the aluminum sites in the Al2SiO5 polymorphs from CCD high-resolution X-ray diffraction data: Comparison with 27Al NMR results
-
Slimane Dahaoui
und
Judith A.K. Howard
Veröffentlicht/Copyright:
26. März 2015
Abstract
High-resolution single-crystal X-ray diffraction intensities recorded with a charge-coupled device detector at low temperature (100 K) were used to derive the electron density distribution in three Al2SiO5 polymorphs: andalusite, sillimanite, and kyanite. The 27Al nuclear quadrupole coupling tensors were estimated from both the internal polarization contribution of the Al electron density and that of the lattice with electronic multipoles up to octupoles for oxygen atoms and hexadecapoles for Si and Al. Based on new estimations of the 27Al Sternheimer shielding factor, R and the antishielding factor, γ, a close agreement was achieved between the quadrupole coupling tensors at the various Al-sites derived from the X-ray diffraction data for all three polymorphs of Al2SiO5 with those determined previously from single-crystal 27Al NMR spectra.
Received: 2000-2-2
Accepted: 2000-10-6
Published Online: 2015-3-26
Published in Print: 2001-1-1
© 2015 by Walter de Gruyter Berlin/Boston
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Artikel in diesem Heft
- Self diffusion of Si and O in dacitic liquid at high pressures
- The effect of anhydrous composition on water solubility in granitic melts
- Stability and phase relations of Ca[ZnSi3]O8, a new phase with feldspar structure in the system CaO-ZnO-SiO2
- Magmatic Na-rich phlogopite in a suite of gabbroic crustal xenoliths from Volcán San Pedro, Chilean Andes: Evidence for a solvus relation between phlogopite and aspidolite
- The influence of T, aSiO₂, and fO₂ on exsolution textures in Fe-Mg olivine: An example from augite syenites of the Ilimaussaq Intrusion, South Greenland
- An experimental study of the external reduction of olivine single crystals
- Determination of site population in olivine: Warnings on X-ray data treatment and refinement
- Structural properties of ferromagnesian cordierites
- A calorimetric study of zoisite and clinozoisite solid solutions
- Mineralogy of lead in a soil developed on a Pb-mineralized sandstone (Largentière, France)
- Experimental mixtures of smectite and rectorite: Re-investigation of “fundamental particles” and “interparticle diffraction”
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