Spahr Dominik, König Jannes, Bayarjargal Lkhamsuren, Gavryushkin Pavel N, Milman Victor, Liermann Hanns-Peter, Winkler Björn
Institute of Geosciences, Goethe University Frankfurt, Altenhöferallee 1, Frankfurt 60438, Germany.
Sobolev Institute of Geology and Mineralogy (IGM), Siberian Branch of Russian Academy of Sciences (SB RAS), Novosibirsk 630090, Russian Federation.
Inorg Chem. 2021 Oct 4;60(19):14504-14508. doi: 10.1021/acs.inorgchem.1c01900. Epub 2021 Sep 14.
We have synthesized the orthocarbonate Sr[CO]O in a laser-heated diamond anvil cell at 20 and 30 GPa by heating to ≈3000 (300) K. Afterward, we recovered the orthocarbonate with [CO] groups at ambient conditions. Single-crystal diffraction shows the presence of [CO] groups, i.e., sp-hybridized carbon tetrahedrally coordinated by covalently bound oxygen atoms. The [CO] tetrahedra are located in a cage formed by corner-sharing OSr octahedra, i.e., octahedra with oxygen as a central ion, forming an antiperovskite-type structure. At high pressures, the octahedra are nearly ideal and slightly rotated. The high-pressure phase is tetragonal (4/). Upon pressure release, there is a phase transition with a symmetry lowering to an orthorhombic phase (), where the octahedra tilt and deform slightly.
我们在激光加热的金刚石对顶砧池中，通过加热至约3000（300）K，在20和30 GPa的压力下合成了原碳酸锶Sr[CO]O。之后，我们在环境条件下回收了含有[CO]基团的原碳酸盐。单晶衍射表明存在[CO]基团，即由共价键合的氧原子进行四面体配位的sp杂化碳。[CO]四面体位于由共角共享的OSr八面体（即以氧为中心离子的八面体）形成的笼中，形成反钙钛矿型结构。在高压下，八面体近乎理想且略有旋转。高压相为四方晶系（4/）。压力释放时，会发生相变，对称性降低为正交相（），此时八面体稍有倾斜和变形。
