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- Title
The hydrogen‐bond network in sodium chloride tridecahydrate: analogy with ice VI.
- Authors
Yamashita, Keishiro; Nakayama, Kazuya; Komatsu, Kazuki; Ohhara, Takashi; Munakata, Koji; Hattori, Takanori; Sano-Furukawa, Asami; Kagi, Hiroyuki
- Abstract
The structure of a recently found hyperhydrated form of sodium chloride (NaCl·13H2O and NaCl·13D2O) has been determined by insitu single‐crystal neutron diffraction at 1.7 GPa and 298 K. It has large hydrogen‐bond networks and some water molecules have distorted bonding features such as bifurcated hydrogen bonds and five‐coordinated water molecules. The hydrogen‐bond network has similarities to ice VI in terms of network topology and disordered hydrogen bonds. Assuming the equivalence of network components connected by pseudo‐symmetries, the overall network structure of this hydrate can be expressed by breaking it down into smaller structural units which correspond to the ice VI network structure. This hydrogen‐bond network contains orientational disorder of water molecules in contrast to the known salt hydrates. An example is presented here for further insights into a hydrogen‐bond network containing ionic species.
- Subjects
ORDER-disorder transitions; NEUTRON diffraction; HYDROGEN bonding; ANALOGY; MOLECULES
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2023, Vol 79, Issue 5, p414
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520623007199