<p>Coesite, a high-pressure SiO2 polymorph, has drawn extensive interest from the mineralogical community for a long time. In this study, we synthesized hydrous coesite samples with different B and Al concentrations at 5 and 7.5 GPa (1273 K). The B concentration could be more than 400 B/10<sup>6</sup>Si with about 300 ppmw. H2O, while the Al content can be as much as 1200 ~ 1300 Al/10<sup>6</sup>Si with CH2O restrained to be less than 10 ppmw. Hence, B-substitution may prefer the mechanism of Si<sup>4+</sup> = B<sup>3+</sup> + H<sup>+</sup>, whereas Al-substitution could be dominated by 2Si<sup>4+</sup> = 2Al<sup>3+</sup> + O<sub>V</sub>. The doped B<sup>3+</sup> and Al<sup>3+</sup> cations may be concentrated in the Si1 and Si2 tetrahedra, respectively, and make noticeable changes in the Si-O4 and Si-O5 bond lengths. In-situ high-temperature Raman and Fourier Transformation Infrared (FTIR) spectra were collected at ambient pressure. The single crystals of coesite were observed to be stable up to 1500 K. The isobaric Gr&#252;neisen parameters (&#978;<sub>i<em>P</em></sub>) of the external modes (< 350 cm<sup>-1</sup>) are systematically smaller in the Al-doped samples, as compared with those for the Al-free ones, while most of the OH-stretching bands shift to higher frequencies in the high temperature range up to ~ 1100 K</p>
Crystal Structures and High-Temperature Vibrational Spectra for Synthetic Boron and Aluminum Doped Hydrous Coesite