Synthesis, crystal structure and structure–property relations of strontium orthocarbonate, Sr2CO4

Laniel, D.; Binck, J.; Winkler, B.; Vogel, S.; Fedotenko, T.; Chariton, S.; Prakapenka, V.; Milman, V.; Schnick, W.; Dubrovinsky, L.; Dubrovinskaia, N.

doi:10.1107/S2052520620016650

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 5
(a) Comparison of a DFT-calculated Raman spectrum of Sr₂CO₄ (purple, this study), to DFT-calculated (green) and experimental (red) Raman spectra of Ca₂CO₄ at ∼20 GPa as obtained by Binck et al. (2021

). (b) DFT-calculated Raman spectra of Sr₂CO₄ at different pressures. The shift of Raman modes towards higher frequencies implies positive Grüneisen parameters for all modes. All DFT-calculated Raman spectra have their x axis (Raman shift) multiplied by a scaling factor of 4%.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 77| Part 1| February 2021| Pages 131-137

https://doi.org/10.1107/S2052520620016650

Open

access

Follow Acta Cryst. B

Search IUCr Journals		doi		Advanced search
Author		volume	page