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Structural study of cadmium hydroxide sulfates. VI. The layer structure of Cd4SO4(OH)6.1.5H2O studied from X-ray powder and single-crystal diffraction data

Published online by Cambridge University Press:  05 March 2012

D. Louër ,
J. Rius ,
P. Bénard-Rocherullé  and
M. Louër
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
J. Rius
Affiliation:
Institut de Ciència de Materials de Barcelona (CSIC), Campus de la UAB, 08193 Cerdanyola, Catalunya, Spain
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
M. 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

The crystal structure of the layered cadmium hydroxide sulfate Cd4SO4(OH)6.1.5H2O has been solved from X-ray powder diffraction data. The compound crystallizes with hexagonal symmetry, a=9.145(1) Å, c=15.099(3) Å, V=1093.5 Å3, Z=4, space group P63. Due to the unusual environment of one cadmium atom and to the fact that a suitable thin tabular crystal could be found later, a single-crystal X-ray diffraction experiment was also carried out. In both cases the structure was solved applying direct-methods. The refinements converged to the residual factors Rwp=0.152 and RF=0.059 from the powder data and R1=0.058 and wR=0.165 for the single crystal data case. The structure is built from brucite-type layers based on CdO6 octahedra, in which one-seventh of the octahedral sites are empty. Directly above and below these empty sites, two additional octahedrically coordinated Cd atoms are located. The crystal chemistry of the cadmium hydroxide sulfate family is discussed.

Type
Technical Articles
Information
Powder Diffraction , Volume 16 , Issue 2 , June 2001 , pp. 86 - 91
Copyright
Copyright © Cambridge University Press 2001

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