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Figure 7
Refinement pattern of the incommensurate structure of deuterated thiophene at 115 K (phase IV; experimental data: open circles, calculated profile: continuous line, allowed Bragg reflections: vertical marks; the difference between the experimental and calculated profiles is displayed at the bottom of each graph). Inset: occupancy plots versus internal coordinate t = x4 − qr (in a four-dimensional space; Dušek et al., 2001BB6). (a) and (b) refer to the two molecules sharing the same site complementarily; site 1 is located at (−0.2524, 0.1645, −0.0177) and site 2 at (−0.2456, −0.1555, −0.5983).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 64| Part 5| September 2008| Pages 589-595
doi:10.1107/S0108768108015103
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