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Title: Crystal structure determination of the oxynitride Sr[sub 2]TaO[sub 3]N

Abstract

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.

Authors:
;  [1]; ;  [2];  [3];  [4]
  1. (Univ. de Rennes 1 (France). Lab. Verres et Ceramiques)
  2. (CNRS, Meudon (France). Lab. de Physicochimie des Materiaux)
  3. (Centre de Recherches d'Aubervilliers (France))
  4. (Rutherford Appleton Lab., Didcot (United Kingdom). ISIS Science Div.)
Publication Date:
OSTI Identifier:
6068631
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 146:2; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CRYSTAL MODELS; CRYSTAL STRUCTURE; EXPERIMENTAL DATA; LATTICE PARAMETERS; NEUTRON DIFFRACTION; STRONTIUM OXIDES; TANTALUM NITRIDES; TANTALUM OXIDES; ALKALINE EARTH METAL COMPOUNDS; CHALCOGENIDES; COHERENT SCATTERING; DATA; DIFFRACTION; INFORMATION; MATHEMATICAL MODELS; NITRIDES; NITROGEN COMPOUNDS; NUMERICAL DATA; OXIDES; OXYGEN COMPOUNDS; PNICTIDES; REFRACTORY METAL COMPOUNDS; SCATTERING; STRONTIUM COMPOUNDS; TANTALUM COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; 360202* - Ceramics, Cermets, & Refractories- Structure & Phase Studies

Citation Formats

Diot, N., Marchand, R., Haines, J., Leger, J.M., Macaudiere, P., and Hull, S. Crystal structure determination of the oxynitride Sr[sub 2]TaO[sub 3]N. United States: N. p., 1999. Web. doi:10.1006/jssc.1999.8369.
Diot, N., Marchand, R., Haines, J., Leger, J.M., Macaudiere, P., & Hull, S. Crystal structure determination of the oxynitride Sr[sub 2]TaO[sub 3]N. United States. doi:10.1006/jssc.1999.8369.
Diot, N., Marchand, R., Haines, J., Leger, J.M., Macaudiere, P., and Hull, S. Wed . "Crystal structure determination of the oxynitride Sr[sub 2]TaO[sub 3]N". United States. doi:10.1006/jssc.1999.8369.
@article{osti_6068631,
title = {Crystal structure determination of the oxynitride Sr[sub 2]TaO[sub 3]N},
author = {Diot, N. and Marchand, R. and Haines, J. and Leger, J.M. and Macaudiere, P. and Hull, S.},
abstractNote = {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.},
doi = {10.1006/jssc.1999.8369},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 146:2,
place = {United States},
year = {1999},
month = {9}
}