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Determining the Chemical Composition of Corrosion Inhibitor/Metal Interfaces with XPS: Minimizing Post Immersion Oxidation

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Redetermination of Fe(2)[BP(3)O(12)].

Fei Fei Li¹, Hui Ju Zhang, Li Na Zhang

¹Department of Physics and Chemistry, Henan Polytechnic University, Jiaozuo, Henan 454000, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 19, 2011

Summary

Single crystals of diiron(III) borotriphosphate, Fe(2)[BP(3)O(12)], were grown using high temperature solution growth (HTSG). This study corrects the space group to P6(3)/m and details its unique crystal structure.

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Area of Science:

Inorganic Chemistry
Solid-State Chemistry
Crystallography

Background:

Previous synthesis of Fe(2)[BP(3)O(12)] yielded microcrystalline material.
The crystal structure was previously refined using powder X-ray diffraction data in space group P3.

Purpose of the Study:

To grow single crystals of anhydrous diiron(III) borotriphosphate, Fe(2)[BP(3)O(12)].
To determine the accurate crystal structure and space group of the title compound using single-crystal X-ray diffraction.

Main Methods:

High Temperature Solution Growth (HTSG) method for single-crystal synthesis.
Single-crystal X-ray diffraction for structural determination.

Main Results:

Single crystals of Fe(2)[BP(3)O(12)] were successfully obtained.
The correct space group was identified as P6(3)/m, differing from the previously reported P3.
The three-dimensional structure comprises FeO(6) octahedra, BO(3) groups, and PO(4) tetrahedra.

Conclusions:

The single-crystal study provides a precise structural description of Fe(2)[BP(3)O(12)].
The findings correct and refine the understanding of this borotriphosphate compound's crystal structure and symmetry.