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Figure 2
(a) PXRD pattern measured at 100 K (red dots) along with the refined model (black line) and the difference plot (blue line). The indexed peaks (green bars) are given in order from the top: BCAS, CeAu2Si2 and Si. A few minute impurity phase reflections (2θ = 8.001°, 9.065°, 12.109°, 13.605°, 18.261°, 10.290°, 12.970°, 26.688°) have not yet been described. (b) The final refined model showing the distribution of elements on the different sites. The thermal ellipsoids are drawn at the 99% probability at 1000 K for the sake of visibility. In the anisotropic model, the 6c site shows a slight anisotropy with preference for vibration in the plane of the tetrakaidecahedra (parallel to the hexagonal faces).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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