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| Home > Publications database > High-Pressure Synthesis of an Iron Carbonate, $Fe_2[CO_3]_3$ |
| Home > Publications database > High-Pressure Synthesis of an Iron Carbonate, $Fe_2[CO_3]_3$ |
| Journal Article | PUBDB-2025-00246 |
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2024
American Chemical Society
Washington, DC
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Please use a persistent id in citations: doi:10.1021/acs.inorgchem.4c03177
Abstract: We synthesized an iron carbonate, Fe$_2^{3+}$[CO$_3$]$_3$, by reacting Fe$_2$O$_3$ with CO$_2$ at high temperatures and pressures of approximately 33(3) GPa. The structure was solved by single-crystal X-ray diffraction. Full geometry optimizations based on density functional theory reproduced the crystal structure. This compound crystallizes in the monoclinic space group P2$_1$/n. The characteristic feature of the Fe$_2^{3+}$[CO$_3$]$_3$-structure is the presence of 7- and 8-fold coordinated trivalent cations and noncoplanar [CO$_3$]$^{2–}$ groups. The normals of the [CO$_3$]$^{2–}$ groups point in four different directions. The bulk modulus of Fe$_2$[CO$_3$]$_3$ is K$_0$ = 138(34)GPa (when K$_p$ is fixed to 4). While previous studies have shown that siderite, Fe$^{2+}$CO$_3$ decomposes at lower mantle conditions (pressures between 20 and 50 GPa and high temperatures), Fe$_2^{3+}$[CO$_3$]$_3$ may be stable around 33(3) GPa and up to 2600(300) K. Iron carbonates with Fe$^{3+}$ are therefore more likely present at lower mantle conditions than carbonates containing Fe$^{2+}$.
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