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X-ray powder diffraction data for calcium galactarate tetrahydrate CaC6H8O8·4H2O and Rietveld refinement of the crystal structure

Published online by Cambridge University Press:  10 January 2013

B. Barbier  and
H. Euler
B. Barbier
Affiliation:
Universität Bonn, Mineralogisch-Petrologisches Institut, Poppelsdorfer Schloß, D-53115 Bonn, Germany
H. Euler
Affiliation:
Universität Bonn, Mineralogisch-Petrologisches Institut, Poppelsdorfer Schloß, D-53115 Bonn, Germany
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Abstract

The powder pattern of calcium galactarate tetrahydrate (CaC6H8O8·4H2O) is presented. The compound was found in white wine stored for 4 years. A Rietveld refinement using the atomic coordinates from a single crystal study as starting values was refined with 55 parameters and without preferred orientation to RB=5.97%, RF=4.44%, Rp=10.39%, and Rwp=13.43% for 84 reflections. Crystal data: Mr=320.14, orthorhombic, Pcan, a=7.3359(1) Å, b=11.6296(3) Å, c=15.0978(6) Å, V=1288.05(6) Å3, Z=4, Dx=1.651 g/cm3, λ(CuKα1)=1.54060 Å, μ=46.76 cm−1.

Keywords

CaC6H8O8·4H2Otartargalactaratepowder diffractionRietveld analysis
Type
Technical Articles
Information
Powder Diffraction , Volume 15 , Issue 3 , September 2000 , pp. 175 - 179
Copyright
Copyright © Cambridge University Press 2000

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References

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