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Figure 6
The final Pawley refinement plot of phase II at 4.8 kbar 273 K, showing observed (o), calculated (line) and difference (lower) profiles. Vertical bar markers indicate calculated Bragg peak positions. The equivalent d-spacing range corresponds to 1.45–5.20 Å. The calculated powder pattern based on the single-crystal X-ray structure (Shallard-Brown et al., 2005BB22) and using unit-cell and peak-width parameters from the Pawley refinement is shown in the inset.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 62| Part 4| July 2006| Pages 592-598
doi:10.1107/S0108768106015485
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