A New High Pressure Polymorph of Na2[C2O5] Synthesized at 41 GPa

Abstract The inorganic pyrocarbonate Na2[C2O5] was synthesized at 41(3) GPa and 1000(300) K using a laser-heated diamond anvil cell. The compound was obtained by heating a mixture of Na2[CO3] and CO2 under high-pressure conditions. Its crystal structure was determined by single crystal synchrotron X-ray diffraction. This high pressure polymorph of Na2[C2O5] crystallizes in the space group Fdd2 with Z = 48 and an extremely anisotropic unit cell shape. The lattice parameters at 41(3) GPa are a = 50.466(7) Å, b = 23.681(6) Å, and c = 2.7212(4) Å, corresponding to a unit cell volume of 3252.1(10) Å3. The two [CO3]2−-groups which form the [C2O5]2−-groups are slightly tilted with respect to each other. Density functional theory based calculations confirmed the structure and supported the interpretation of the Raman spectra. Na2[C2O5]−Fdd2 is a high pressure polymorph of the previously reported Na2[C2O5]−P21.

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Journal
Crystal Growth & Design
Published
2026-10-30
DOI
https://doi.org/10.1021/acs.cgd.6c00659
Primary Topic
High-pressure geophysics and materials
Type
article
Field-Weighted Citation Impact
0.00

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article

A New High Pressure Polymorph of Na2[C2O5] Synthesized at 41 GPa

Keith Refson, Dominik Spahr, B. Winkler, Maxim Bykov et al.
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Crystal Growth & Design
High-pressure geophysics and materials
article

A New High Pressure Polymorph of Na2[C2O5] Synthesized at 41 GPa

Keith Refson, Dominik Spahr, B. Winkler, Maxim Bykov, Lkhamsuren Bayarjargal, Konstantin V. Glazyrin, Victor Milman, Lena Wedek
article en

Abstract

Abstract The inorganic pyrocarbonate Na2[C2O5] was synthesized at 41(3) GPa and 1000(300) K using a laser-heated diamond anvil cell. The compound was obtained by heating a mixture of Na2[CO3] and CO2 under high-pressure conditions. Its crystal structure was determined by single crystal synchrotron X-ray diffraction. This high pressure polymorph of Na2[C2O5] crystallizes in the space group Fdd2 with Z = 48 and an extremely anisotropic unit cell shape. The lattice parameters at 41(3) GPa are a = 50.466(7) Å, b = 23.681(6) Å, and c = 2.7212(4) Å, corresponding to a unit cell volume of 3252.1(10) Å3. The two [CO3]2−-groups which form the [C2O5]2−-groups are slightly tilted with respect to each other. Density functional theory based calculations confirmed the structure and supported the interpretation of the Raman spectra. Na2[C2O5]−Fdd2 is a high pressure polymorph of the previously reported Na2[C2O5]−P21.

Crystal Growth & Design
Science and Technology Facilities Council (GB), Deutsches Elektronen-Synchrotron DESY (DE), Dassault Systèmes (United Kingdom) (GB), BIOVIA (US), Dassault Systèmes (France) (FR), Stony Brook University (US)
Fulbright Program, Deutsche Forschungsgemeinschaft, Dassault Systèmes La Fondation, Deutsches Elektronen-Synchrotron
Openalex Percentile: Top 18%
High-pressure geophysics and materials
DOIOpen Access PDFOpenAlex
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A New High Pressure Polymorph of Na2[C2O5] Synthesized at 41 GPa — Keith Refson, Dominik Spahr, et al. · Crystal Growth & Design (2026) | TGRS Research Map | TGRS