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Figure 4
(a), (b) The average structure/unit cell for Cu1.95Se in the qz = 0 Å−1/z = 0 Å plane is shown in red while the supercell in the qxqy /ab plane is shown in blue. The average cell does not match with equivalent positions in the 3D-ΔPDF in (b) while the supercell does as the origin point must correspond to the other corners of the cell due to the inherent properties of the 3D-ΔPDF. (c) A schematic showing the 3D-PDF (top), the average structure Patterson function (middle) and the 3D-ΔPDF at the origin (the difference between the other two) (bottom).

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ISSN: 2053-2733
Volume 81| Part 4| July 2025| Pages 254-268
https://doi.org/10.1107/S2053273325003389
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