Ammonia Mono Hydrate IV: An Attempted Structure Solution

Bernhard Massani, Ciprian G. Pruteanu, Lewis J. Conway, Victor N. Robinson, Andreas Hermann, John S. Loveday*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


The mixed homonuclear and heteronuclear hydrogen bonds in ammonia hydrates have been of interest for several decades. In this manuscript, a neutron powder diffraction study is presented to investigate the structure of ammonia monohydrate IV at 170 K at an elevated pressure of 3–5 GPa. The most plausible structure that accounts for all features in the experimental pattern was found in the P21/c space group and has the lattice parameters a=5.487(3) Å, b=19.068(4) Å, c=5.989(3) Å, and β=99.537(16) deg. While the data quality limits discussion to a proton-ordered structure, the structure presented here sheds light on an important part of the ammonia–water phase diagram.
Original languageEnglish
Article number135
Pages (from-to)1-10
Number of pages10
Issue number2
Publication statusPublished - 19 Jan 2022


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