Quantification of non-bridging oxygens in silicates using X-ray Raman scattering

Detecting and quantifying non-bridging oxygen (NBO) atoms is of particular interest for understanding the physical properties of melts or compressed materials, and requires an unequivocal spectral signature usable during in situ measurements. In this paper, we evidence a low-energy feature of NBO in lithium silicate crystals using X-ray Raman scattering (XRS) spectroscopy around the energy losses of the oxygen K-edge. A specific peak at 534–535 eV in the edge onset is unequivocally attributed to the presence of NBO. Its intensity is used to quantify NBO in lithium silicate glasses. A similar feature at low energy has also been evidenced in Na2SiO3 and MgSiO3, generalizing the method to other alkali and alkali-earth silicates. This non-destructive method of NBO quantification, which is based on an X-ray inelastic scattering technique, can be extended to other spectroscopies such as electron-energy loss spectroscopy, and soft X-ray absorption spectroscopy at the oxygen K edge.