Spahr Dominik, Bayarjargal Lkhamsuren, Bykova Elena, Bykov Maxim, Brüning Lukas, Kovalev Valentin, Milman Victor, Wright Jonathan, Winkler Björn
Institute of Geosciences, Goethe University Frankfurt, Altenhöferallee 1, 60438 Frankfurt, Germany.
Institute of Inorganic and Analytical Chemistry, Goethe University Frankfurt, Max-von-Laue-Straße 7, 60438 Frankfurt, Germany.
Inorg Chem. 2024 Oct 21;63(42):19513-19517. doi: 10.1021/acs.inorgchem.4c03681. Epub 2024 Oct 9.
The anhydrous beryllium carbonate Be[CO] with calcite-type crystal structure was obtained by a reaction of BeO with CO in a laser-heated diamond anvil cell at pressures between 30 GPa and 80 GPa and elevated temperatures. Its calcite-type crystal structure (3̅ with = 6) is characterized by 6-fold-coordinated beryllium atoms forming [BeO] octahedra and by trigonal-planar [CO] groups. The crystal structure was determined by synchrotron-based single-crystal X-ray diffraction and confirmed by density-functional-theory-based calculations in combination with experimental Raman spectroscopy. Calcite-type Be[CO] was synthesized at significantly lower pressures than the other very few compounds hosting 6-fold-coordinated beryllium, and it is the first beryllium carbonate with this coordination.
通过在激光加热的金刚石对顶砧池中，在30吉帕至80吉帕的压力和高温下，使氧化铍与一氧化碳反应，获得了具有方解石型晶体结构的无水碳酸铍Be[CO]。其方解石型晶体结构（3̅， = 6）的特征是铍原子呈六重配位形成[BeO]八面体，以及三角平面[CO]基团。晶体结构通过基于同步加速器的单晶X射线衍射确定，并通过基于密度泛函理论的计算结合实验拉曼光谱得到证实。方解石型Be[CO]是在比其他极少数含有六重配位铍的化合物低得多的压力下合成的，并且它是第一种具有这种配位的碳酸铍。
