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Updated: Oct 30, 2025

Ammonia Synthesis at Low Pressure
Published on: August 23, 2017
Intermediate Range Order in Metal-Ammonia Solutions: Pure and Na-Doped Ca-NH3
Thomas C Nicholas1, Thomas F Headen2, Jonathan C Wasse3
1Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, U.K.
Abstract:
The local and intermediate range ordering in Ca-NH3 solutions in their metallic phase is determined through H/D isotopically differenced neutron diffraction in combination with empirical potential structure refinements. For both low and high relative Ca concentrations, the Ca ions are found to be octahedrally coordinated by the NH3 solvent, and these hexammine units are spatially correlated out to lengthscales of ∼7.4-10.3 Å depending on the concentration, leading to pronounced ordering in the bulk liquid. We further demonstrate that this liquid order can be progressively disrupted by the substitution of Ca for Na, whereby a distortion of the average ion primary solvation occurs and the intermediate range ion-ion correlations are disrupted.
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