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Figure 1
X-ray diffraction pattern for sample C1 obtained using a Stoe instrument in transmission mode with Cu Kα1 radiation. The positions of the Bragg reflections are shown as vertical bars below the diffraction pattern. The vertical bars above the diffraction pattern indicate the positions of known impurity peaks (see §2.2[link]). The difference between the measured diffraction data and intensities calculated from the atom positions given in the supplementary material are shown in (b). For details of the structure modelling and the FULLPROF refinement (see §§3[link] and 4[link]). (c) shows the corresponding difference pattern based on the atom positions of Guirado et al. (1998BB8) (see §3.2[link]).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 63| Part 6| November 2007| Pages 850-861
doi:10.1107/S0108768107035136
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