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Figure 1
Results of Rietveld refinements using the 4.2 K data in the range 1–2.4 Å for models in (a) space group R3m without anisotropic broadening correction, (b) space group Cm and (c) space group R3m with the anisotropic broadening parameter S400 refined. Data are given as +, the calculated profile as a solid line and the difference profile as a solid line below. Vertical markers above the difference profile indicate the calculated Bragg reflection positions. Data in the range 2–2.4 Å are plotted according to the right-hand scale. Insets show details of the fit to the important 400 and 222 reflections.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 62| Part 6| May 2006| Pages i46-i48
doi:10.1107/S0108270106011991
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