Crystal structure determination of the oxynitride Sr{sub 2}TaO{sub 3}N
- Univ. de Rennes 1 (France). Lab. Verres et Ceramiques
- CNRS, Meudon (France). Lab. de Physicochimie des Materiaux
- Centre de Recherches d`Aubervilliers (France)
- Rutherford Appleton Lab., Didcot (United Kingdom). ISIS Science Div.
The crystal structure of the strontium tantalum oxynitride Sr{sub 2}TaO{sub 3}N has been resolved by Rietveld refinement using time-of-flight neutron powder diffraction data. The structure is of the K{sub 2}NiF{sub 4} type with a partially ordered anion sublattice (tetragonal, I4/mmm, a = 4.04127(3) {angstrom}, c = 12.6073(2) {angstrom}, c/a = 3.120, Z = 2). The tantalum atoms are at the center of TaO{sub 2}(O, N){sub 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{sub 5}(O, N){sub 4}. The profile agreement factors are R{sub p} = 0.022, R{sub wp} = 0.016, R{sub exp} = 0.012, and R{sub 1} = 0.063.
- OSTI ID:
- 696672
- Journal Information:
- Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 2 Vol. 146; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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