%0 Journal Article
%A Spahr, Dominik
%A Bayarjargal, Lkhamsuren
%A Haussühl, Eiken
%A Luchitskaia, Rita
%A Friedrich, Alexandra
%A Milman, Victor
%A Fedotenko, Timofey
%A Winkler, Björn
%T Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2−</sup>-groups in Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate
%J Chemical communications
%V 59
%N 80
%@ 0022-4936
%C Cambridge
%I Soc.
%M PUBDB-2023-07614
%P 11951 - 11954
%D 2023
%Z Waiting for fulltext
%X The inorganic pyrocarbonate salt Ba[C<sub>2</sub>O<sub>5</sub>] contains twisted pyrocarbonate anions ([C<sub>2</sub>O<sub>5</sub>]<sup>2−</sup>), an atomic arrangement previously not observed in other pyrocarbonates. This unexpected additional structural degree of freedom points towards an enlarged chemical variability in this novel group of compounds. Ba[C<sub>2</sub>O<sub>5</sub>] was synthesized in a laser-heated diamond anvil cell at 30(2) GPa by heating a mixture of Ba[CO<sub>3</sub>] + CO<sub>2</sub> to ≈ 1500(200) K. Its crystal structure was solved from single crystal synchrotron X-ray diffraction data and confirmed by density functional theory-based calculations. The two planar [CO<sub>3</sub>]<sup>2−</sup>-groups of the [C<sub>2</sub>O<sub>5</sub>]<sup>2−</sup>-anion are strongly twisted around the bridging oxygen atom. Ba[C<sub>2</sub>O<sub>5</sub>] has been observed in the pressure range of 5–30 GPa, where its symmetry is P6/m with Z=12.
%F PUB:(DE-HGF)16
%9 Journal Article
%$ 37747265
%U <Go to ISI:>//WOS:001072818800001
%R 10.1039/D3CC03324D
%U https://bib-pubdb1.desy.de/record/599925