Acta Crystallographica Section B

Volume 68, Part 1 (February 2012)

short communications

Acta Cryst. (2012). B68, 89-90    [ doi:10.1107/S0108768111054371 ]

Revision of the Mg(ClO4)2·4H2O crystal structure

L. A. Solovyov

Abstract: A revision is presented of the restrained Rietveld analysis of the crystal structure of magnesium perchlorate tetrahydrate, Mg(ClO4)2·4H2O, recently published by Robertson & Bish [(2010), Acta Cryst. B66, 579-584]. The actual symmetry of the material is shown to be C2/m. The corrected structure model is refined by the derivative difference method [Solovyov (2004). J. Appl. Cryst. 37, 743-749], anisotropically for all non-H atoms and isotropically for two independent H atoms without restraints.

Keywords: X-ray powder diffraction; crystal structure revision; derivative difference minimization.

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Text file (4.6 kbytes)
[ doi:10.1107/S0108768111054371/kd5057sup3.txt ]
DDM parameter file

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Text file (34.6 kbytes)
[ doi:10.1107/S0108768111054371/kd5057sup4.txt ]
DDM data file

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[ doi:10.1107/S0108768111054371/kd5057sup5.pdf ]
Extra tables and ellipsoid plot


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