1. Synthesis and crystal structure of acentric anhydrous beryllium carbonate Be(CO3).
- Author
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Spahr, Dominik, Bayarjargal, Lkhamsuren, Bykova, Elena, Bykov, Maxim, Reuter, Tim H., Brüning, Lukas, Jurzick, Pascal L., Wedek, Lena, Milman, Victor, Wehinger, Björn, and Winkler, Björn
- Subjects
ALKALINE earth metals ,SECOND harmonic generation ,PHASE transitions ,SYMMETRY groups ,CRYSTAL structure - Abstract
The anhydrous alkaline earth metal carbonate Be(CO
3 ) 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 CO2 . It crystallizes in the acentric, trigonal space group P31 21 with Z = 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(CO3 ) is characterized by the presence of isolated [CO3 ]2− -groups and BeO4 -tetrahedra. This is a new structure type and such a topology has not been observed in carbonates before. Be(CO3 ) can be recovered to ambient conditions and is not undergoing a phase transition during decompression. [ABSTRACT FROM AUTHOR]- Published
- 2024
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