Abstract
Through extensive research on the PbO / PbBr2 / B2O3 system, a new single crystal of yellow lead‐containing oxyborate bromine, [O2Pb3]2(BO3)Br, was grown from the melt. It crystallizes in the centrosymmetric space group Cmcm (no. 63) of the orthorhombic system with the following unit cell dimensions: a = 9.5748(8) Å, b = 20.841(2) Å, c = 5.7696(5) Å, and Z = 4. The whole structure is characterized by an infinite one‐dimensional (1D) ∞1[O2Pb3] double chain, which is based on the OPb4 oxocentered tetrahedra and considered as the derivative of the continuous sheet of OPb4 tetrahedra from the tetragonal modification of α‐PbO. The 1D ∞1[O2Pb3] double chains are further bridged by the BO3 units through common oxygen atoms to form two‐dimensional (2D) ∞1[[(O2Pb3)(BO3)] layers, with Br atoms situated between the layers. IR spectroscopy, UV/Vis/NIR diffuse reflectance spectroscopy, and thermal analysis were also performed on the reported material.
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