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Persistent URL http://purl.org/net/epubs/work/34554
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Record Id 34554
Title Precision of a crystal structure derived from a synchrotron X-ray powder pattern. The structure of Barium oxalate hydrate, BaC2O4ยท2H2O
Abstract Abstract: The crystal structure of barium oxalate hydrate, BaC2O4 . 2H(2)O, was reinvestigated using a synchrotron X-ray powder pattern and a single crystal X-ray data set. The compound is monoclinic, a = 7.538(1), b = 11.062(1), c = 7.105(1) Angstrom, beta = 105.42(1)degrees, space group P2(1)/c, with Z = 4. The precision of the structure arrived at with the synchrotron X-ray powder pattern is not as high as that obtained with the single crystal X-ray data. The barium atoms are bonded to the oxalate ions and to the water molecules with nine barium oxygen bonds in the range 2.71(1)-2.97(1) Angstrom. The structure has hydrogen bonds in the range 2.72(2)-2.91(2) Angstrom, and the oxalate ion has only a minor deviation from planarity.
Organisation CCLRC , SRS , 2.3
Keywords Chemistry , Crystal Structure , Diffractometer , Radiation
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Language English (EN)
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Journal Article J Phys Chem Solids 56, no. 10 (1995): 1359-1362. doi:10.1016/0022-3697(95)00070-4 christensen.pdf 1995