Radial Distribution Study of Vitreous Barium Borosilicate

Area of Science:

• Materials Science
• Solid State Chemistry
• Glass Science

Background:

• Barium borosilicate glasses are technologically important materials.
• Understanding their structure is crucial for optimizing properties.
• Previous studies suggested immiscibility and coordination changes in barium-rich compositions.

Purpose of the Study:

• To elucidate the atomic structure of a specific barium borosilicate glass composition.
• To determine interatomic distances and coordination numbers.
• To validate and refine existing structural models for barium borosilicate systems.

Main Methods:

• X-ray diffraction (XRD) was employed to probe the glass structure.
• Atomic radial distribution functions (RDFs) were calculated from diffraction data.
• Immiscibility data was integrated with RDF results.

Main Results:

• Average interatomic distances determined: Si-O (1.6 A), Ba-O (2.8 A), Ba-Ba (4.7 A, 6.8 A).
• A Ba-O-Ba bond angle of approximately 115° was calculated from the 4.7 A Ba-Ba separation.
• The study confirmed a proposed coordination change for barium atoms.

Conclusions:

• The structural findings align partially with predictions based on immiscibility data.
• Specific mole percentages of barium oxide were associated with distinct Ba-Ba separations.
• A validated mechanism for calculating modifier-rich liquid compositions in the ternary system was presented.