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Related Experiment Video

Updated: Mar 24, 2026

Exploring Arterial Smooth Muscle Kv7 Potassium Channel Function using Patch Clamp Electrophysiology and Pressure Myography

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Sodium potassium hydrogen citrate, NaKHC6H5O7.

Alagappa Rammohan¹, James A Kaduk²

¹Atlantic International University, Honolulu HI , USA.

Acta Crystallographica. Section E, Crystallographic Communications

|March 10, 2016

Summary

The crystal structure of sodium potassium hydrogen citrate reveals intricate chains of sodium and potassium polyhedra. Strong hydrogen bonds form a prominent feature, influencing the material's properties.

Keywords:

citrate crystal structure density functional theory potassium powder diffraction sodium

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Area of Science:

Crystallography
Solid-state chemistry
Materials science

Background:

Understanding the crystal structure of alkali metal salts is crucial for predicting their chemical and physical properties.
Sodium potassium hydrogen citrate is a relevant compound in various chemical applications.

Purpose of the Study:

To determine and refine the crystal structure of sodium potassium hydrogen citrate.
To investigate the nature and strength of hydrogen bonding within the structure.
To computationally optimize the determined structure using density functional theory.

Main Methods:

X-ray powder diffraction (XRD) for crystal structure determination and refinement.
Density functional theory (DFT) for structural optimization and electronic property calculations.
Bond-valence sum calculations to analyze cation coordination.

Main Results:

The crystal structure was solved and refined, revealing six-coordinate Na(+) and K(+) cations.
Distorted [NaO6] and [KO6] octahedra form complex triple chains along the a axis.
A prominent feature is the presence of very short and strong hydrogen bonds along [111], with O⋯O distances of approximately 2.41 Å.

Conclusions:

The detailed crystal structure of sodium potassium hydrogen citrate has been elucidated.
The identified strong hydrogen bonds significantly contribute to the structural stability and properties.
DFT calculations provide insights into the electronic nature and strength of these hydrogen bonds.