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Title: High-Pressure Study of Perovskites and Postperovskites in the (Mg,Fe)GeO 3 System

The effect of incorporation of Fe 2+ on the perovskite ( Pbnm) and postperovskite ( Cmcm) structures was investigated in the (Mg,Fe)GeO 3 system at high pressures and temperatures using laser-heated diamond anvil cell and synchrotron X-ray diffraction. Samples with compositions of Mg# ≥ 48 were shown to transform to the perovskite (~30 GPa and ~1500 K) and postperovskite (>55 GPa, ~1600-1800 K) structures. Compositions with Mg# ≥ 78 formed single-phase perovskite and postperovskite, whereas those with Mg# < 78 showed evidence for partial decomposition. The incorporation of Fe into the perovskite structure causes a decrease in octahedral distortion as well as a modest decrease in bulk modulus (K 0) and a modest increase in zero-pressure volume (V 0). It also leads to a decrease in the perovskite-to-postperovskite phase transition pressure by ~9.5 GPa over compositions from Mg#78 to Mg#100.
Authors:
ORCiD logo [1] ;  [2] ;  [3] ;  [4] ;  [2]
  1. Princeton Univ., NJ (United States). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  2. Princeton Univ., NJ (United States). Dept. of Geosciences
  3. Princeton Univ., NJ (United States). Dept. of Chemistry
  4. Univ. of Chicago and Argonne National Lab., Argonne, IL (United States). GeoSoilEnviroCARS
Publication Date:
Grant/Contract Number:
AC02-05CH11231; EAR-1415321; FG02-08ER46544; EAR-1634415; FG02-94ER14466; EAR-1606856; AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 56; Journal Issue: 14; Related Information: © 2017 American Chemical Society.; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1465414

Stan, Camelia V., Dutta, Rajkrishna, Cava, Robert J., Prakapenka, Vitali B., and Duffy, Thomas S.. High-Pressure Study of Perovskites and Postperovskites in the (Mg,Fe)GeO3 System. United States: N. p., Web. doi:10.1021/acs.inorgchem.7b00774.
Stan, Camelia V., Dutta, Rajkrishna, Cava, Robert J., Prakapenka, Vitali B., & Duffy, Thomas S.. High-Pressure Study of Perovskites and Postperovskites in the (Mg,Fe)GeO3 System. United States. doi:10.1021/acs.inorgchem.7b00774.
Stan, Camelia V., Dutta, Rajkrishna, Cava, Robert J., Prakapenka, Vitali B., and Duffy, Thomas S.. 2017. "High-Pressure Study of Perovskites and Postperovskites in the (Mg,Fe)GeO3 System". United States. doi:10.1021/acs.inorgchem.7b00774. https://www.osti.gov/servlets/purl/1465414.
@article{osti_1465414,
title = {High-Pressure Study of Perovskites and Postperovskites in the (Mg,Fe)GeO3 System},
author = {Stan, Camelia V. and Dutta, Rajkrishna and Cava, Robert J. and Prakapenka, Vitali B. and Duffy, Thomas S.},
abstractNote = {The effect of incorporation of Fe2+ on the perovskite (Pbnm) and postperovskite (Cmcm) structures was investigated in the (Mg,Fe)GeO3 system at high pressures and temperatures using laser-heated diamond anvil cell and synchrotron X-ray diffraction. Samples with compositions of Mg# ≥ 48 were shown to transform to the perovskite (~30 GPa and ~1500 K) and postperovskite (>55 GPa, ~1600-1800 K) structures. Compositions with Mg# ≥ 78 formed single-phase perovskite and postperovskite, whereas those with Mg# < 78 showed evidence for partial decomposition. The incorporation of Fe into the perovskite structure causes a decrease in octahedral distortion as well as a modest decrease in bulk modulus (K0) and a modest increase in zero-pressure volume (V0). It also leads to a decrease in the perovskite-to-postperovskite phase transition pressure by ~9.5 GPa over compositions from Mg#78 to Mg#100.},
doi = {10.1021/acs.inorgchem.7b00774},
journal = {Inorganic Chemistry},
number = 14,
volume = 56,
place = {United States},
year = {2017},
month = {6}
}