@article{fdi:010061931,
  title = {{C}lumped fluoride-hydroxyl defects in forsterite : implications for the upper-mantle},
  author = {{C}repisson, {C}. and {B}lanchard, {M}. and {B}ureau, {H}. and {S}anloup, {C}. and {W}ithers, {A}. {C}. and {K}hodja, {H}. and {S}urble, {S}. and {R}aepsaet, {C}. and {B}eneut, {K}. and {L}eroy, {C}. and {G}iura, {P}. and {B}alan, {E}tienne},
  editor = {},
  language = {{ENG}},
  abstract = {{T}he mechanism and magnitude of fluorine incorporation in {H}-bearing forsterite were investigated through a combined experimental and theoretical approach. {F}orsterite samples were synthesized in a piston cylinder press at 2 and 4 {GP}a, in hydrous conditions, with or without fluorine. {H}igh fluorine solubilities of 1715 and 1308 ppm {F} were measured by particle induced gamma-ray emission ({PIGE}) in forsterite samples synthesized at 2 and 4 {GP}a, respectively. {I}n addition, first-principles calculations based on density functional theory were performed in order to investigate the coupled incorporation mechanisms of fluorine and water in forsterite. {O}ur results demonstrate the close association of fluoride, hydroxyl groups and {S}i vacancies. {C}omparison of experimental and theoretical infrared absorption spectra enables assignment of the nine {OH} stretching bands (3500-3700 cm(-1)) observed in {F}-rich synthetic forsterite to clumped fluoride-hydroxyl defects in the forsterite crystal structure. {N}oteworthily, similar bands were previously recorded on some natural olivine with {M}g/({M}g+{F}e) molar ratio down to 0.86. {F}luorine and water cycles are therefore strongly coupled through the nominally anhydrous minerals and the mantle fluorine budget can be entirely accommodated by these mineral phases.},
  keywords = {fluorine ; olivine ; infrared spectroscopy ; ab initio calculations ; {OH} ; defects ; ion beam analysis},
  booktitle = {},
  journal = {{E}arth and {P}lanetary {S}cience {L}etters},
  volume = {390},
  numero = {},
  pages = {287--295},
  ISSN = {0012-821{X}},
  year = {2014},
  DOI = {10.1016/j.epsl.2014.01.020},
  URL = {https://www.documentation.ird.fr/hor/fdi:010061931},
}