Crystal Structure Determination of the Oxynitride Sr2TaO3N

✍ Scribed by N. Diot; R. Marchand; J. Haines; J.M. Léger; P. Macaudière; S. Hull

• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 133 KB
• Volume: 146
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1999.8369

✦ Synopsis

The crystal structure of the strontium tantalum oxynitride Sr 2 TaO 3 N has been resolved by Rietveld re5nement using timeof-6ight neutron powder di4raction data. The structure is of the K 2 NiF 4 type with a partially ordered anion sublattice (tetragonal, I4/mmm, a ‫؍‬ 4.04127(3) A s , c ‫؍‬ 12.6073(2) A s , c/a ‫؍‬ 3.120, Z ‫؍‬ 2). The tantalum atoms are at the center of TaO 2 (O, N) 4 octahedra built up from two oxygen atoms at the apexes and four (N ؉ O) atoms statistically forming the median plane. The strontium atoms have a coordination number of nine: SrO 5 (O, N) 4 . The pro5le agreement factors are R p ‫؍‬ 0.022, R wp ‫؍‬ 0.016, R exp ‫؍‬ 0.012, and R I ‫؍‬ 0.063.