Spahr Dominik, Bayarjargal Lkhamsuren, Bykov Maxim, Brüning Lukas, Jurzick Pascal L, Wang Yu, Milman Victor, Refson Keith, Mezouar Mohamed, Winkler Björn
Goethe University Frankfurt, Institute of Geosciences, Altenhöferallee 1, 60438, Frankfurt, Germany.
Goethe University Frankfurt, Institute of Inorganic and Analytical Chemistry, Max-von-Laue-Straße 7, 60438, Frankfurt, Germany.
Commun Chem. 2024 Oct 21;7(1):238. doi: 10.1038/s42004-024-01293-1.
Understanding the fate of subducted carbonates is a prerequisite for the elucidation of the Earth's deep carbon cycle. Here we show that the concomitant presence of Ca[CO] with CO in a subducting slab very likely results in the formation of an anhydrous mixed pyrocarbonate, , at moderate pressure ( ≈ 20 GPa) and temperature ( ≈ 1500 K) conditions. We show that at these conditions can be obtained by reacting Ca[CO] with CO in a laser-heated diamond anvil cell. The crystal structure was obtained from synchrotron-based single crystal X-ray diffraction data. Density Functional Perturbation Theory calculations in combination with experimental Raman spectroscopy results unambiguously confirmed the structural model. The crystal structure of is characterized by the presence of - and -groups. The results presented here imply that the formation of needs to be taken into account when constructing models of the deep carbon cycle of the Earth.
了解俯冲碳酸盐的命运是阐明地球深部碳循环的先决条件。在这里,我们表明,在俯冲板块中,Ca[CO]与CO同时存在很可能在中等压力(约20 GPa)和温度(约1500 K)条件下导致形成无水混合焦碳酸盐 。我们表明,在这些条件下,可以通过在激光加热的金刚石砧室中使Ca[CO]与CO反应来获得 。晶体结构是从基于同步加速器的单晶X射线衍射数据获得的。密度泛函微扰理论计算与实验拉曼光谱结果相结合,明确证实了结构模型。 的晶体结构的特征是存在 -和 -基团。这里给出的结果表明,在构建地球深部碳循环模型时需要考虑 的形成。