Crystal structure of Kuzel's salt 3CaO.Al{sub 2}O{sub 3}.1/2CaSO{sub 4}.1/2CaCl{sub 2}.11H{sub 2}O determined by synchrotron powder diffraction

Journal Article · Sun May 15 00:00:00 EDT 2011 · Cement and Concrete Research

DOI:https://doi.org/10.1016/j.cemconres.2011.01.015· OSTI ID:21490059

Mesbah, Adel ^[1]; Francois, Michel ^[2]; Cau-dit-Coumes, Celine; Frizon, Fabien ^[1]; Filinchuk, Yaroslav ^[3]; Leroux, Fabrice ^[4]; Ravaux, Johann ^[5]; Renaudin, Guillaume ^[6]

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1. Commissariat a l'Energie Atomique et aux Energies Alternatives, CEA DEN/DTCD/SPDE, F-30207 Bagnols sur Ceze (France)
2. Institut Jean Lamour, UMR 7198, Universite Henri Poincare, Nancy Universite, F-54506 Vandoeuvre les Nancy (France)
3. Swiss-Norwegian Beam Lines at ESRF, 6 rue Jules Horowitz, BP 220, F-38043 Grenoble (France)
4. Clermont Universite, Universite Blaise Pascal, Laboratoire des Materiaux Inorganiques, BP 10448, F-63000 Clermont-Ferrand (France)
5. Institut de Chimie Separative de Marcoule, UMR 5257 CEA/CNRS/UM2/ENSCM, BP 17171, CEA Marcoule, F-30207 Bagnols-sur-Ceze (France)
6. Clermont Universite, ENSCCF, Laboratoire des Materiaux Inorganiques, BP 10448, F-63000 Clermont-Ferrand (France)

The crystal structure of Kuzel's salt has been successfully determined by synchrotron powder diffraction. It crystallizes in the rhombohedral R3-bar symmetry with a = 5.7508 (2) A, c = 50.418 (3) A, V = 1444.04 (11) A{sup 3}. Joint Rietveld refinement was realized using three X-ray powder patterns recorded with a unique wavelength and three different sample-to-detector distances. Kuzel's salt is the chloro-sulfoaluminate AFm phase and belongs to the layered double hydroxide (LDH) large family. Its structure is composed of positively charged main layer [Ca{sub 2}Al(OH){sub 6}]{sup +} and negatively charged interlayer [Cl{sub 0.50}.(SO{sub 4}){sub 0.25}.2.5H{sub 2}O]{sup -}. Chloride and sulfate anions are ordered into two independent crystallographic sites and fill successive interlayer leading to the formation of a second-stage compound. The two kinds of interlayer have the compositions [Cl.2H{sub 2}O]{sup -} and [(SO{sub 4}){sub 0.5}.3H{sub 2}O]{sup -}. The crystal structure explains why chloride and sulfate anions are not substituted and why the formation of extended solid solution in the chloro-sulfate AFm system does not occur.

• OSTI ID: 21490059
• Journal Information: Cement and Concrete Research, Vol. 41, Issue 5; Other Information: DOI: 10.1016/j.cemconres.2011.01.015; PII: S0008-8846(11)00016-0; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0008-8846
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALUMINIUM OXIDES
ANIONS
ATOMIC FORCE MICROSCOPY
CALCIUM CHLORIDES
CALCIUM SULFATES
CRYSTALLOGRAPHY
HYDROXIDES
LAYERS
POWDERS
SOLID SOLUTIONS
TRIGONAL LATTICES
X RADIATION
X-RAY DIFFRACTION
ALKALINE EARTH METAL COMPOUNDS
ALUMINIUM COMPOUNDS
CALCIUM COMPOUNDS
CALCIUM HALIDES
CHALCOGENIDES
CHARGED PARTICLES
CHLORIDES
CHLORINE COMPOUNDS
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
DISPERSIONS
ELECTROMAGNETIC RADIATION
HALIDES
HALOGEN COMPOUNDS
HOMOGENEOUS MIXTURES
HYDROGEN COMPOUNDS
IONIZING RADIATIONS
IONS
MICROSCOPY
MIXTURES
OXIDES
OXYGEN COMPOUNDS
RADIATIONS
SCATTERING
SOLUTIONS
SULFATES
SULFUR COMPOUNDS