An infrared and Raman spectroscopic study of PbSO4-anglesite at high pressures

Sawchuk, Krista; O'Bannon, E F; Vennari, Cara; Kavmer, Abby; Knittle, Elise; Williams, Quentin

doi:10.1007/s00269-019-01027-z

An infrared and Raman spectroscopic study of PbSO4-anglesite at high pressures

Journal Article · Fri Feb 22 00:00:00 EST 2019 · Physics and Chemistry of Minerals

DOI:https://doi.org/10.1007/s00269-019-01027-z· OSTI ID:1497319

Sawchuk, Krista ^[1]; O'Bannon, E F ^[2]; Vennari, Cara ^[3]; Kavmer, Abby ^[1]; Knittle, Elise ^[3]; Williams, Quentin ^[3]

Univ. of California, Los Angeles, CA (United States). Dept. of Earth, Planetary, and Space Sciences
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Physical and Life Sciences, Physics Division
Univ. of California, Santa Cruz, CA (United States). Dept. of Earth and Planetary Sciences

Infrared and Raman spectra of the ABX₄ compound anglesite (PbSO₄) were collected to 43 GPa at 300 K in three separate pressure media. A major transition in the spectra initiates at 23 GPa that is characterized by shifting and/or splitting of most of the fundamental vibrations of the sulfate group. On decompression, PbSO₄ reverts to the ambient anglesite (barite) structure. This transition is kinetically impeded within more hydrostatic pressure media and does not proceed to completion within a neon medium even at pressures as high as 43 GPa. The previously observed spectral shift at 13 GPa occurs in less hydrostatic media (such as 4:1 methanol:ethanol), and involves subtle splitting of a few modes, particularly the (SO₄)^2- tetrahedral stretching and bending-derived Raman and infrared modes. Another possible shift occurs near 33 GPa, and primarily involves the appearance of new sulfate antisymmetric bending modes in the infrared spectrum and the onset of new sulfate antisymmetric stretching modes in the Raman spectrum. It is likely that PbSO₄ begins to convert sluggishly to the $$P2_12_12_1$$ ABX4 structure starting at 23 GPa, with a possible additional crystallographic distortion or shift in compression mechanism occurring near 33 GPa. The spectral shift at 13 GPa in non-hydrostatic media may be a differential stress-induced structural distortion, or a subtle transition that is not accessible within more hydrostatic media. Our results emphasize that apparently equilibrium transitions such as that at 23 GPa may be notably suppressed within more hydrostatic media.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1497319

Report Number(s):: LLNL-JRNL-752819; 936827

Journal Information:: Physics and Chemistry of Minerals, Journal Name: Physics and Chemistry of Minerals Journal Issue: 6 Vol. 46; ISSN 0342-1791

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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