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6-Fold-Coordinated Beryllium in Calcite-Type Be[CO3].

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Researchers synthesized anhydrous beryllium carbonate (Be[CO3]) with a calcite-type structure under high pressure. This discovery is significant as it

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Area of Science:

  • High-pressure mineral physics
  • Inorganic chemistry
  • Crystallography

Background:

  • Beryllium compounds are rare under high pressure.
  • The coordination of beryllium typically involves 4-fold coordination.

Purpose of the Study:

  • To synthesize and characterize anhydrous beryllium carbonate (Be[CO3]) under high pressure.
  • To investigate the crystal structure and coordination of beryllium in Be[CO3].

Main Methods:

  • Laser-heated diamond anvil cell for high-pressure synthesis.
  • Synchrotron-based single-crystal X-ray diffraction for crystal structure determination.
  • Density-functional-theory calculations and Raman spectroscopy for confirmation.

Main Results:

  • Anhydrous beryllium carbonate (Be[CO3]) with a calcite-type crystal structure was successfully synthesized at 30-80 GPa.
  • The structure features 6-fold-coordinated beryllium in [BeO6] octahedra and trigonal-planar [CO3]2- groups.
  • This is the first beryllium carbonate with 6-fold-coordinated beryllium and was synthesized at lower pressures than other known 6-fold-coordinated beryllium compounds.

Conclusions:

  • Calcite-type Be[CO3] represents a novel high-pressure phase of beryllium carbonate.
  • The findings expand the understanding of beryllium coordination chemistry under extreme conditions.
  • This study provides a new example of a carbonate mineral forming with 6-fold-coordinated beryllium.