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Figure 6
(a) Comparison of the powder X-ray diffractogram of Tl(BArF) recorded at room tem­per­a­ture (top left trace, blue) and its simulated diffractogram based on the SC-XRD structure at 100 K (bottom left trace, dark blue). Anisotropic thermal expansion occurs along the a and b axes, with layers `gliding' against each other along a and b, while the c axis does not expand significantly because both layer-like arrangements within the structure are perpendicular to it. (b) Overlay of the SC-XRD structure at 100 K (dark blue, dotted unit-cell box) and the simulated room-tem­per­a­ture structure (orange, solid unit-cell box), as viewed along the b axis (bottom left) and the c axis (bottom right).

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ISSN: 2053-2296