Scaling relation for the bond length, mass density, and packing order of water ice

TL;DR

This paper introduces a scaling relation linking the molecular packing, bond lengths, and density in water and ice, providing insights into their unique tetrahedral structure validated by experimental data.

Contribution

It presents a novel scaling solution that relates density to bond lengths and packing order in water and ice, confirming the tetrahedral structure as fundamental.

Findings

Validated the scaling relation with experimental data

Confirmed the unique tetrahedral structure of water ice

Explained bond length variations in water and ice

Abstract

The packing order of molecules and the distance between adjacent oxygen atoms (dOO) in water and ice are most basic yet puzzling. Here we present a scaling solution for this purpose based only on the mass density (gcm-3), (Equation) where dL is the length ({\AA}) of the O:H van der Waals bond and dH the H-O polar-covalent bond projecting on the O---O line. Validated by the measured proton symmetrization of compressed ice, dOO of water and ice, and dOO expansion at water surface, this solution confirms that the fluctuated, tetrahedrally-coordinated structure is unique for water ice.