【摘 要】
：
Compounds containing both B–O and P–O groups are of wide interest and have been classified into borophosphates and borate–phosphates by R.Kniep et al.In
【机 构】
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KeyLaboratoryofFunctionalMaterialsandDevicesforSpecialEnvironmentsofCAS,XinjiangTechnicalInstituteof
【出 处】
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第八届国际分子模拟与信息技术应用学术会议
论文部分内容阅读
Compounds containing both B–O and P–O groups are of wide interest and have been classified into borophosphates and borate–phosphates by R.Kniep et al.In addition to the B/P ratio,analysis results show that regulating the [M/(B+P)] ratio is also an effective strategy to synthesize new borate– phosphates.The first lithium lead borate–phosphate,LiPb4(BO3)(PO4)2,was synthesized by regulating this ratio.This compound crystallizes in the orthorhombic space group Pbca(No.61).It possesses a 3D structure with a corrugated 2D layer of [B2Pb8O18]∞ that is further connected by a [LiP2O8]∞ chain; both BO3 and PO4 were isolated.First-principle theoretical studies were performed to aid the understanding of the electronic structures and the linear optical properties.In addition,thermal analysis,IR spectroscopy,and UV/Vis/NIR diffuse reflectance spectroscopy were performed on the reported material.
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