On the shortest B(III)-O bonds

Area of Science:

• Inorganic Chemistry
• Crystallography
• Materials Science

Background:

• Borate minerals and compounds are crucial in various geological and industrial applications.
• Understanding the fundamental B-O bond characteristics is essential for accurate crystal structure determination.

Purpose of the Study:

• To establish the minimum physically plausible B(III)-O bond length in oxoborate crystal structures.
• To provide a criterion for evaluating the reliability of reported oxoborate crystal structures.

Main Methods:

• Analysis of established oxoborate crystal structure databases.
• Comparative analysis of B(III)-O bond lengths across diverse oxoborate compounds.

Main Results:

• The lower physical limit for B(III)-O bond lengths in oxoborates is determined to be approximately 1.2 Å.
• Crystal structures reporting B(III)-O bond lengths below this threshold are identified as potentially erroneous.

Conclusions:

• A bond length of ~1.2 Å serves as a critical threshold for validating oxoborate crystal structures.
• This finding aids in refining crystallographic data and ensuring the accuracy of structural models in boron-oxygen compounds.