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. Jeffrey Swope and Joseph R. Smyth and Allen C. 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… 

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