Some crystallography, chemistry, physics, and thermodynamics of B12O2, B12P2, B12As2, and related alpha-boron type crystals

•A through literature review of alpha-boron compounds is presented.•Crystallographic model for determining filling fraction of alpha-boron compounds.•Relationship between compounds filling fraction and physical–chemical properties.•B6O properties: HV, bandgap, radiation hardness, and p-type conductivity.•Proposed synthesis of single-crystal B6O, application potential neutron detection.

This paper shows that several alpha-boron type compounds may be useful as high-temperature semiconductors with decent carrier motilities, high electrical resistivity, good optical transparency, good stability under high radiation bombardment, and possess high neutron capture cross-sections. The most promising are B12O2, B12P2, and B12As2. Their relationship to alpha-boron, B13C2, and other derivative crystals is explained. A study of their chemical and thermodynamic properties indicates how single crystals useful for electronic devices can be grown.