Hostname: page-component-76fb5796d-dfsvx Total loading time: 0 Render date: 2024-04-26T12:11:26.526Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access Rights & Permissions [Opens in a new window]

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Caglioti, G., Paoletti, A., and Ricci, F. P. (1958). “Choice of collimators for a crystal spectrometer for neutron diffraction,” Nucl. Instrum. 3, 223–228.CrossRefGoogle Scholar
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Cryst. Growth 2, 65–71.Google Scholar
Sheldrick, G. M. (1993). “SHELXL93: A program for crystal structure refinement,” University of Göttingen, Germany.Google Scholar
Sheldrick, B., Mackie, W., and Akrigg, D. (1989). “The structures of barium d-galactarate monohydrate and calcium d-galactarate tetrahydrate,” Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 45, 191–194.CrossRefGoogle Scholar
Young, R. A., and Schneider, J. (1991). “Program for Rietveld analysis of X-ray and neutron powder diffraction patterns,” Version DBW9006.Google Scholar