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Figure 2
Refined structure of DHMS phase E. (a) Framework structure along with tilted O—D dipoles. No cation was found at the Mg2 site. Vacancies of MgO6 octahedra (dashed area) are coupled with two adjacent SiO4 tetrahedra crosslinking the neighboring layers. The proposed locations of D+ are shown as red spheres. (b) Difference Fourier map projected from the c axis orientation. The locations of D+ were determined along with refininement of the site occupancy factor to the corresponding nuclear density distributions. There are three equivalent sites of D+ around each O2− ion. (c) Geometry of chemical bonding in the interlayer space O—D⋯O. Because of the site symmetry, three equivalent sites of D+ are observed simultaneously around each O2−, while one of them is actually filled by D+.

IUCrJ
Volume 7| Part 3| May 2020| Pages 370-374
ISSN: 2052-2525
https://doi.org/10.1107/S2052252520003036