Abstract
Presented here is a new three-dimensional lead borate, namely, PbB2O4 (denoted as SCU-8). This compound has a fluorite net constructed from two different cyclic building units: 4-connected Pb3O6 cluster and 8-connected B12O24 cluster. It is a wide-gap semiconductor with the band gap of 4.0eV. The band structure and density of states of the compound were also calculated based on density functional theory.
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