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Structure determination from powder diffraction data of a new layered ammonium lanthanum sulfate, β-(NH4)La(SO4)2

Published online by Cambridge University Press:  05 March 2012

P. Bénard-Rocherullé ,
H. Tronel  and
D. Louër
P. Bénard-Rocherullé
Affiliation:
Laboratoire de Chimie du Solide et Inorganique Moléculaire (UMR CNRS 6511), Institut de Chimie, Université de Rennes, Avenue du Général Leclerc, 35042 Rennes cedex, France
H. Tronel
Affiliation:
Laboratoire de Chimie du Solide et Inorganique Moléculaire (UMR CNRS 6511), Institut de Chimie, Université de Rennes, Avenue du Général Leclerc, 35042 Rennes cedex, France
D. Louër*
Affiliation:
Laboratoire de Chimie du Solide et Inorganique Moléculaire (UMR CNRS 6511), Institut de Chimie, Université de Rennes, Avenue du Général Leclerc, 35042 Rennes cedex, France
*
a)Electronic mail: [email protected]
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Abstract

A new variety of ammonium lanthanum sulfate, β-(NH4)La(SO4)2, was synthesized hydrothermally. The crystal structure was solved ab initio from powder diffraction data collected using a conventional X-ray source. The powder diffraction pattern was indexed by the successive dichotomy method: The symmetry is monoclinic, space group Pn, cell dimensions a=6.9365(4) Å, b=9.0055(5) Å, c=5.4541(4) Å, β=90.672(8)°, V=340.68(3) Å3 and Z=2 [M20=65, F30=124(0.0071,34)]. Direct methods were used for structure solution, and refinement of the atomic coordinates was carried out by the Rietveld method (RF=0.061, Rwp=0.099). The structure contains anionic layers built from lanthanum atoms ninefold coordinated to monodentate and bidentate sulfate oxygen atoms. Ammonium groups, which provide hydrogen bonds, are located between the layers. The crystal structure contrasts with that of the α phase, which is less dense by a factor of 4.4%.

Type
Technical Articles
Information
Powder Diffraction , Volume 17 , Issue 3 , September 2002 , pp. 210 - 217
Copyright
Copyright © Cambridge University Press 2002

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