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Figure 2
(a) A structural model of Hg(NH3)2Cl2, illustrating a possible distribution of Hg2+ ions to form [H3N–Hg–NH3]2+ molecules. The Cl− ions occupy the cube vertices (only one such ion is shown). (b) Slices of the diffuse neutron and X-ray scattering as calculated from our simulated model structures of Hg(NH3)2Cl2. Note that the only difference between the neutron and X-ray scattering calculations is the difference in scattering factors. (c) A simplified 2D structural analogue of Hg(NH3)2Cl2, obtained by projecting onto two spatial dimensions. The four 〈10〉-oriented tiles of [Hg1/2–NH3]+ are labelled and illustrate the matching rules of the system. (d) Two-dimensional diffuse neutron and X-ray scattering of the 2D toy model represented in panel (c).

IUCrJ
Volume 9| Part 1| January 2022| Pages 21-30
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521009982