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

Abstract

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.

Authors:
 [1];  [2];  [3];  [1];  [3];  [3]
  1. Univ. of California, Los Angeles, CA (United States). Dept. of Earth, Planetary, and Space Sciences
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Physical and Life Sciences, Physics Division
  3. Univ. of California, Santa Cruz, CA (United States). Dept. of Earth and Planetary Sciences
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1497319
Report Number(s):
LLNL-JRNL-752819
Journal ID: ISSN 0342-1791; 936827
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Physics and Chemistry of Minerals
Additional Journal Information:
Journal Volume: 46; Journal Issue: 6; Journal ID: ISSN 0342-1791
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Anglesite; Sulfates; High pressures; Phase transitions; Raman spectroscopy; Infrared spectroscopy

Citation Formats

Sawchuk, Krista, O'Bannon, E F, Vennari, Cara, Kavmer, Abby, Knittle, Elise, and Williams, Quentin. An infrared and Raman spectroscopic study of PbSO4-anglesite at high pressures. United States: N. p., 2019. Web. doi:10.1007/s00269-019-01027-z.
Sawchuk, Krista, O'Bannon, E F, Vennari, Cara, Kavmer, Abby, Knittle, Elise, & Williams, Quentin. An infrared and Raman spectroscopic study of PbSO4-anglesite at high pressures. United States. doi:10.1007/s00269-019-01027-z.
Sawchuk, Krista, O'Bannon, E F, Vennari, Cara, Kavmer, Abby, Knittle, Elise, and Williams, Quentin. Fri . "An infrared and Raman spectroscopic study of PbSO4-anglesite at high pressures". United States. doi:10.1007/s00269-019-01027-z. https://www.osti.gov/servlets/purl/1497319.
@article{osti_1497319,
title = {An infrared and Raman spectroscopic study of PbSO4-anglesite at high pressures},
author = {Sawchuk, Krista and O'Bannon, E F and Vennari, Cara and Kavmer, Abby and Knittle, Elise and Williams, Quentin},
abstractNote = {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.},
doi = {10.1007/s00269-019-01027-z},
journal = {Physics and Chemistry of Minerals},
number = 6,
volume = 46,
place = {United States},
year = {2019},
month = {2}
}

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