LiBO2
Lithium metaborate · Lithium borate
Lithium metaborate is a stable, insulating lithium oxide compound widely used as a fluxing agent in chemical analysis and glass manufacturing.
About Lithium metaborate
Lithium metaborate is a thermodynamically stable member of the lithium oxide family. Characterized as a wide-band-gap insulator, it exhibits robust structural integrity and is frequently studied for its role in inorganic synthesis and material processing.
Its utility stems from its ability to act as an effective fluxing agent in analytical chemistry and glass production. Due to its stable nature and well-documented structural variations, it serves as a foundational material for developing specialized ceramic and optical components.
Key Properties
Cross-validated computational properties for Lithium metaborate, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for LiBO2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 7.28 | 0.0000 | -7.377 | 2.90 |
| P21/c (No. 14) | monoclinic | 5.23 | 0.0182 | -7.359 | 2.25 |
| P21/c (No. 14) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 1.95 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.17 |
| I-42d (No. 122) | Tetragonal | — | — | — | 2.91 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.08 |
| I-42d (No. 122) | Tetragonal | — | — | — | 2.80 |
| I-42d (No. 122) | Tetragonal | — | — | — | 2.87 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.78 |
Applications
Where Lithium metaborate is used.
Frequently Asked Questions
Common questions about Lithium metaborate, answered from cross-validated data.
What is LiBO2?
Lithium metaborate is a stable, insulating lithium oxide compound widely used as a fluxing agent in chemical analysis and glass manufacturing.
What is LiBO2 used for?
What is the band gap of LiBO2?
Is LiBO2 a metal, semiconductor, or insulator?
Is LiBO2 thermodynamically stable?
What is the crystal structure of LiBO2?
What is the density of LiBO2?
How many polymorphs of LiBO2 are known?
What elements does LiBO2 contain?
Where does the data for LiBO2 come from?
How It Compares
Within the lithium oxides class.
Unlike the transition-metal-based lithium oxides such as LiCoO2 or LiNiO2, which are primarily utilized for their electrochemical activity in battery cathodes, LiBO2 functions as a stable, insulating matrix material. While its siblings are optimized for ion mobility and redox capacity, LiBO2 is valued for its thermal stability and chemical inertness in high-temperature applications.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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