A new oxynitride, Ba3Si6O12N2, has been synthesized. The crystal structure has been successfully determined by close collaboration between experiment and first-principles calculation. This compound doped with Eu exhibits intense green photoluminescence with high color purity under near-ultraviolet to blue light excitation; in particular, it has much less thermal quenching than (Ba,Sr,Eu)2SiO4. Thus (Ba,Eu)3Si6O12N2 appears promising green phosphor for white LED backlight for display. The atomic/electronic structure is discussed in comparison with Ba3Si6O9N4, which could not become efficient phosphor by doping Eu due to strong thermal quenching at room temperature.
An imaging plate Weissenberg camera was installed in the BL04B2 beamline of SPring-8 aiming at automated crystal structure determinations of small molecules. Since this beamline is designed to provide X-rays with the energies higher than 37 keV (λ < 0.33 Å), this camera is advantageous in crystal structure analyses of heavily X-ray absorbing materials. The title crystal structure analysis led to precise positional parameters and well-behaved displacement parameters not only for heavy atoms but also for light atoms.
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