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Figure 1
(a) Pressure–temperature phase diagram for Ta2NiSe5. A photographic image of the single crystal used for the high-pressure measurements is shown in the inset. Empty circles and triangles represent XRD measurement points using single-crystal and powder data, respectively. (b)–(e) Single-crystal XRD patterns at (b) 2.16 GPa, 300 K, (c) 0 GPa, 300 K, (d) 4.22 GPa, 300 K and (e) 4.22 GPa, 50 K. In each diffraction pattern, the peaks arranged along c* are derived from Ta2NiSe5, and the diffraction spots highlighted in red arise from single crystals of the diamond present in the DAC. (f) Schematic illustration of a monoclinic twin relationship between domains 1 and 2.

IUCrJ
Volume 5| Part 2| March 2018| Pages 158-165
ISSN: 2052-2525
https://doi.org/10.1107/S2052252517018334