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Figure 4
Structures refined with the oxygen atom split in the 〈111〉 family of directions. (a, b) Geometries of selected configurations of the water molecule. (c, d) Disordered water molecule. Refinements for (a) and (c) H2O; (b) and (d) D2O.

IUCrJ
Volume 12| Part 3| May 2025| Pages 288-294
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525002581