6-Fold-Coordinated Beryllium in Calcite-Type Be[CO3]
At a Glance
Section titled āAt a Glanceā| Metadata | Details |
|---|---|
| Publication Date | 2024-10-09 |
| Journal | Inorganic Chemistry |
| Authors | Dominik Spahr, Lkhamsuren Bayarjargal, Š. ŠŃŠŗŠ¾Š²Š°, Maxim Bykov, Lukas BrĆ¼ning |
| Institutions | European Synchrotron Radiation Facility, Goethe University Frankfurt |
| Citations | 6 |
Abstract
Section titled āAbstractāThe anhydrous beryllium carbonate Be[CO<sub>3</sub>] with calcite-type crystal structure was obtained by a reaction of BeO with CO<sub>2</sub> in a laser-heated diamond anvil cell at pressures between 30 GPa and 80 GPa and elevated temperatures. Its calcite-type crystal structure (<i>R</i>3Ģ <i>c</i> with <i>Z</i> = 6) is characterized by 6-fold-coordinated beryllium atoms forming [BeO<sub>6</sub>] octahedra and by trigonal-planar [CO<sub>3</sub>]<sup>2-</sup> 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<sub>3</sub>] 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.