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Figure 6
Top: Result of the Rietveld-refinement of thio­phosgene after one melting and solidification cycle. Strong preferred orientation is observed. Red crosses indicate measured data, green line the refined model and purple line the difference. Bottom left: Structural model resulting from the Rietveld refinement. The thermal displacement ellipsoids for the S/Cl position are prolate as a result of the preferred orientation. Bottom right: Three-dimensional sixth-order spherical harmonic representation of the sample showing string preferred orientation along the [0001] direction.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 80| Part 5| October 2024| Pages 495-503
https://doi.org/10.1107/S2052520624007583
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