Spahr Dominik, Bayarjargal Lkhamsuren, Bykova Elena, Bykov Maxim, Reuter Tim H, Brüning Lukas, Jurzick Pascal L, Wedek Lena, Milman Victor, Wehinger Björn, 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.
Chem Commun (Camb). 2024 Sep 12;60(74):10208-10211. doi: 10.1039/d4cc03462g.
The anhydrous alkaline earth metal carbonate Be(CO) was synthesized in a laser-heated diamond anvil cell at moderate pressures and temperatures (20(2) GPa and 1500(200) K) by a reaction of BeO with CO. It crystallizes in the acentric, trigonal space group 321 with = 3. The crystal structure was obtained from synchrotron single crystal X-ray diffraction data and confirmed by density functional theory-based calculations in combination with Raman spectroscopy. Second harmonic generation measurements were employed to verify the acentric space group symmetry. The crystal structure of Be(CO) is characterized by the presence of isolated [CO]-groups and BeO-tetrahedra. This is a new structure type and such a topology has not been observed in carbonates before. Be(CO) can be recovered to ambient conditions and is not undergoing a phase transition during decompression.
无水碱土金属碳酸盐Be(CO)是在激光加热的金刚石对顶砧池中于中等压力和温度（20(2)吉帕和1500(200)开尔文）下通过BeO与CO的反应合成的。它以无对称中心的三方空间群321结晶，a = 3。晶体结构是从同步辐射单晶X射线衍射数据获得的，并通过基于密度泛函理论的计算结合拉曼光谱得到证实。采用二次谐波产生测量来验证无对称中心空间群对称性。Be(CO)的晶体结构的特征是存在孤立的[CO]基团和BeO四面体。这是一种新的结构类型，之前在碳酸盐中未观察到这种拓扑结构。Be(CO)可以恢复到环境条件，并且在减压过程中不发生相变。
