Crystal Structure Determination of the Oxynitride Sr2TaO3N

• Published in: Journal of solid state chemistry Vol. 146; no. 2; pp. 390 - 393
• Main Authors: Diot, N., Marchand, R., Haines, J., Léger, J.M., Macaudière, P., Hull, S.
• Format: Journal Article
• Language: English
• Published: San Diego, CA Elsevier Inc 01.09.1999; Elsevier
• Subjects: Condensed matter: structure, mechanical and thermal properties; Exact sciences and technology; Hydrides, borides, nitrides, etc., and metalloidal compounds; Inorganic compounds; oxynitride; Physics; Sr2TaO3N, K2NiF4 structure; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; time-of-flight neutron diffraction; Sr2TaO3N, K2NiF4 structure; oxynitride; time-of-flight neutron diffraction; Strontium Oxynitrides; Inorganic compounds; Powder pattern; Neutron diffraction; Transition element compounds; Time-of-flight method; Experimental study; Tantalum Oxynitrides; Quaternary compounds
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1006/jssc.1999.8369

The crystal structure of the strontium tantalum oxynitride Sr2TaO3N has been resolved by Rietveld refinement using time-of-flight neutron powder diffraction data. The structure is of the K2NiF4 type with a partially ordered anion sublattice (tetragonal, I4/mmm, a=4.04127(3) Å, c=12.6073(2) Å, c/a=3.120, Z=2). The tantalum atoms are at the center of TaO2(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: SrO5(O, N)4. The profile agreement factors are Rp=0.022, Rwp=0.016, Rexp=0.012, and RI=0.063.