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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 17(26), p. 13070-13077, 2024

DOI: 10.1039/d4cp00395k

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Pb<sub>2</sub>[C<sub>2</sub>O<sub>6</sub>]-P3̄m1: new insights into the high-pressure behavior of carbonates

Journal article published in 2024 by Maksim V. Banaev ORCID, Dinara N. Sagatova ORCID, Nursultan E. Sagatov ORCID, Pavel N. Gavryushkin ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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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.