Pb2[C2O6]-P3̄m1: new insights into the high-pressure behavior of carbonates-Reference-Cited by-同舟云学术

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Pb₂[C₂O₆]-P3̄m1: new insights into the high-pressure behavior of carbonates

Published:2024 Issue:17 Volume:26 Page:13070-13077
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Banaev Maksim V.¹²^ORCID,Sagatova Dinara N.¹^ORCID,Sagatov Nursultan E.¹²^ORCID,Gavryushkin Pavel N.¹²^ORCID

Affiliation:

1. Sobolev Institute of Geology and Mineralogy SB RAS, Novosibirsk, 630090, Russia

2. Novosibirsk State University, Novosibirsk, 630090, Russia

Abstract

Based on DFT calculations and crystal structure prediction approaches, we found a new high-pressure structure of lead carbonate, Pb2[C2O6]-P3̄m1. This structure is characterized by the presence of [C2O6] orthooxalate groups.

Funder

Russian Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00395K

Reference51 articles.

1. Neutron single-crystal refinement of cerussite, PbCO3, and comparison with other aragonite-type carbonates

2. L.-G.Liu , W.Bassett and O.Elements , Silicates. High-pressure phases with implications for the Earth's interior , 1986

3. High pressure phase transformations in aragonite-type carbonates

4. POST-ARAGONITE PHASE TRANSITIONS IN STRONTIANITE AND CERUSSITE—A HIGH-PRESSURE RAMAN SPECTROSCOPIC STUDY

5. A high pressure infrared spectroscopic study of PbCO3-cerussite: constraints on the structure of the post-aragonite phase

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