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首页> 外文期刊>Crystallography reports >New Oxygen- and Lead-Deficient Lead Borate Ph_(0.9)~((I))Pb_(0.6)~((II))[BO_(2.25)]_2 = 2Pb_(0.75)[BO_(2.25)] and Its Relation to Aragonite and Calcite Structures
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New Oxygen- and Lead-Deficient Lead Borate Ph_(0.9)~((I))Pb_(0.6)~((II))[BO_(2.25)]_2 = 2Pb_(0.75)[BO_(2.25)] and Its Relation to Aragonite and Calcite Structures

机译：新的氧和铅缺乏硼酸铅Ph_（0.9）〜（（I））Pb_（0.6）〜（（II））[BO_（2.25）] _ 2 = 2Pb_（0.75）[BO_（2.25）]及其关系文石和方解石结构

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摘要

Anhydrous oxygen- and lead-deficient lead borate of the composition Ph_(0.9)~((I))Pb_(0.6)~((II))[BO_(2.25)]_2 = 2Pb_(0.75)[BO_(2.25)] (sp. gr. P312) has been obtained by the hydrothermal synthesis. New acentric borate possesses optical nonlinearity comparable with the optical nonlinearity of α-quartz. The crystal structure of new borate is determined and refined by two X-ray diffraction methods-the single crystal diffractometry and the full-profile analysis. All the positions in the structure, except for those of the boron atom in the triangular coordination, are occupied only partly; one of the two lead positions is split. It is established that new borate is closely related to calcium carbonates-aragonite, calcite, and paralstonite. With an increase of the temperature, new borate undergoes the reversible phase transition into the centrosymmetric, most probably, aragonite-like phase.
机译：组成为Ph_（0.9）〜（（（I））Pb_（0.6）〜（（II））[BO_（2.25）] _ 2 = 2Pb_（0.75）[BO_（2.25）]的无水缺氧和无铅硼酸铅（sp.gr.P312）已经通过水热合成获得。新的无心硼酸盐具有与α-石英的光学非线性相当的光学非线性。通过两种X射线衍射方法（单晶衍射法和全谱分析）确定并精制新硼酸盐的晶体结构。除了硼原子在三角配位中的位置外，结构中的所有位置仅被部分占据;两个领导职位之一被拆分。可以确定的是，新的硼酸盐与碳酸钙-文石，方解石和辉石密切相关。随着温度的升高，新的硼酸盐经历可逆的相转变为向心对称的，最可能为文石状相。

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