Publication | Closed Access
Na<sub>3</sub>B<sub>7</sub>O<sub>11</sub>F<sub>2</sub>: a new sodium-rich fluorooxoborate with a unique [B<sub>14</sub>O<sub>24</sub>F<sub>4</sub>] ring and a short ultraviolet absorption edge
27
Citations
30
References
2018
Year
Crystal StructureOptical MaterialsBirefringence Refractive IndexEngineeringOrganic ChemistryChemistryInorganic MaterialBand GapMultiferroicsOptical PropertiesNew Sodium-rich FluorooxoborateMaterials ScienceInorganic ChemistryCrystal MaterialCrystallographyCrystal Structure DesignBirefringence CrystalCrystalsFunctional Materials
A new sodium-rich fluorooxoborate Na3B7O11F2 features a novel large [B14O24F4] ring formed by two corner-shared [B7O13F2] groups, each containing two [B3O7] anionic units linked by a [BO2F2] group. The band gap of the title compound calculated by using first-principles calculations is 7.69 eV (∼161 nm) and the birefringence refractive index is 0.083 at 193 nm. The results show that it is potentially an excellent deep-ultraviolet (DUV) birefringence crystal.
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