H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction study of H in rutile
@article{Swope1995HIR, title={H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction study of H in rutile}, author={R. Swope and J. R. Smyth and A. Larson}, journal={American Mineralogist}, year={1995}, volume={80}, pages={448 - 453} }
Abstract The crystal structure of natural hydrous rutile from a mantle eclogite nodule has been refined from single-crystal neutron diffraction data collected at 24 K. The chemical composition was 95.52 wt% TiO2, 0.74 wt% Fe2O3, 0.68 wt% Al2O3, 1.16 wt% Cr2O3, 1.86 wt% Nb2O5, and 0.04 wt% MnO, with approximately 13000 ppm OH-, as estimated by IR spectroscopy. The position of the H atom was located by examining the negative residuals in the difference Fourier maps. The refined position is near… CONTINUE READING
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