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Title: Synchrotron X-ray diffraction study of double perovskites Sr 2 RNbO 6 ( R = Sm, Gd, Dy, Ho, Y, Tm, and Lu)

A series of double-perovskite oxides, Sr 2RNbO 6(R= Sm, Gd, Dy, Ho, Y, Tm, and Lu) were prepared and their crystal structure and powder diffraction reference patterns were determined using the Rietveld analysis technique. The crystal structure of each of the Sr 2RNbO 6phase is reported in this paper. TheR= Gd, Ho, and Lu samples were studied using synchrotron radiation, whileR= Sm, Dy, Y, and Tm samples were studied using laboratory X-ray diffraction. Members of Sr 2RNbO 6are monoclinic with a space group ofP2 1/nand are isostructural with each other. Following the trend of “lanthanide contraction”, fromR= Sm to Lu, the lattice parameters “a” of these compounds decreases from 5.84672(10) to 5.78100(3) Å,bfrom 5.93192(13) to 5.80977(3) Å,cfrom 8.3142(2) to 8.18957(5) Å, andVdecreases from 288.355(11) to 275.057(2) Å 3. In this double-perovskite series, theR 3+and Nb 5+ions are structurally ordered. The average Nb–O bond length is nearly constant, while the averageR–O bond length decreases with the decreasing ionic radius ofR 3+. Powder diffraction patterns for these compounds have been submitted to the Powder Diffraction File (PDF).
Authors:
 [1] ; ORCiD logo [2] ;  [3] ;  [3] ;  [1]
  1. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
  2. Illinois Inst. of Technology, Chicago, IL (United States)
  3. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
Powder Diffraction
Additional Journal Information:
Journal Volume: 33; Journal Issue: 4; Journal ID: ISSN 0885-7156
Publisher:
Cambridge University Press
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Sr2RNbO6 (R = Sm, Gd, Dy, Ho, Y, Tm, and Lu); X-ray diffraction patterns and structures; double perovskites; synchrotron X-ray studies
OSTI Identifier:
1503241

Wong-Ng, W., Kaduk, J. A., Lapidus, S. H., Ribaud, L., and Diwanji, S. P.. Synchrotron X-ray diffraction study of double perovskites Sr2RNbO6 ( R = Sm, Gd, Dy, Ho, Y, Tm, and Lu). United States: N. p., Web. doi:10.1017/S0885715618000593.
Wong-Ng, W., Kaduk, J. A., Lapidus, S. H., Ribaud, L., & Diwanji, S. P.. Synchrotron X-ray diffraction study of double perovskites Sr2RNbO6 ( R = Sm, Gd, Dy, Ho, Y, Tm, and Lu). United States. doi:10.1017/S0885715618000593.
Wong-Ng, W., Kaduk, J. A., Lapidus, S. H., Ribaud, L., and Diwanji, S. P.. 2018. "Synchrotron X-ray diffraction study of double perovskites Sr2RNbO6 ( R = Sm, Gd, Dy, Ho, Y, Tm, and Lu)". United States. doi:10.1017/S0885715618000593.
@article{osti_1503241,
title = {Synchrotron X-ray diffraction study of double perovskites Sr2RNbO6 ( R = Sm, Gd, Dy, Ho, Y, Tm, and Lu)},
author = {Wong-Ng, W. and Kaduk, J. A. and Lapidus, S. H. and Ribaud, L. and Diwanji, S. P.},
abstractNote = {A series of double-perovskite oxides, Sr2RNbO6(R= Sm, Gd, Dy, Ho, Y, Tm, and Lu) were prepared and their crystal structure and powder diffraction reference patterns were determined using the Rietveld analysis technique. The crystal structure of each of the Sr2RNbO6phase is reported in this paper. TheR= Gd, Ho, and Lu samples were studied using synchrotron radiation, whileR= Sm, Dy, Y, and Tm samples were studied using laboratory X-ray diffraction. Members of Sr2RNbO6are monoclinic with a space group ofP21/nand are isostructural with each other. Following the trend of “lanthanide contraction”, fromR= Sm to Lu, the lattice parameters “a” of these compounds decreases from 5.84672(10) to 5.78100(3) Å,bfrom 5.93192(13) to 5.80977(3) Å,cfrom 8.3142(2) to 8.18957(5) Å, andVdecreases from 288.355(11) to 275.057(2) Å3. In this double-perovskite series, theR3+and Nb5+ions are structurally ordered. The average Nb–O bond length is nearly constant, while the averageR–O bond length decreases with the decreasing ionic radius ofR3+. Powder diffraction patterns for these compounds have been submitted to the Powder Diffraction File (PDF).},
doi = {10.1017/S0885715618000593},
journal = {Powder Diffraction},
number = 4,
volume = 33,
place = {United States},
year = {2018},
month = {10}
}

Works referenced in this record:

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

A profile refinement method for nuclear and magnetic structures
journal, June 1969