Ba5Nb3O3F18(HF2): Synthesis and Crystal Structure

✍ Scribed by M.P. Crosnier-Lopez; H. Duroy; J.L. Fourquet

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 173 KB
• Volume: 107
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1993.1340

✦ Synopsis

Single crystals of (\mathrm{Ba}{5} \mathrm{Nb}{3} \mathrm{O}{3} \mathrm{~F}{18}\left(\mathrm{HF}{2}\right)) are grown by hydrothermal synthesis. The crystal structure is established from single-crystal X-ray diffraction data: S. G. (P 6{3} / m, Z=2, a=11.935(1) \AA), and (c=7.852(1) \AA\left(R=0.0249, R_{w}=0.0255\right.) for 819 independent reflections and 57 parameters ()). The tridimensional network is built up from (\mathrm{Nb} X_{7}(X=O, F)) pentagonal bipyramids connected by (\mathrm{Ba}^{2+}) ions. The location of anions (\left(\mathrm{O}^{2-}, \mathrm{F}^{-}\right.), and (\left.\left[\mathrm{HF}_{2}\right]^{-}\right))is discussed from bond valence calculations. c. 1993 Academic Press, Inc.