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首页> 外文期刊>Journal of Materials Science >Synthesis, crystallographic characterization and ionic conductivity of iron substituted sodium zirconium phosphate Na1.2Zr1.8Fe0.2(PO4)(3)
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Synthesis, crystallographic characterization and ionic conductivity of iron substituted sodium zirconium phosphate Na1.2Zr1.8Fe0.2(PO4)(3)

机译：铁取代磷酸锆钠Na1.2Zr1.8Fe0.2（PO4）（3）的合成，晶体学表征和离子电导率

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摘要

Sodium zirconium phosphate NaZr2P3O12 (hereafter NZP) crystallizes in rhombohedral (hexagonal) symmetry with the space group R-3c. The NZP-related phase of synthetic iron substituted NZP has been prepared by partial substitution on zirconium site by Fe(III). The material has been synthesized by sintering the finely powdered oxide mixture in a muffle furnace at 1,050 degrees C. The polycrystalline phase of Na1.2Zr1.8Fe0.2(PO4)(3) has been characterized by its typical powder diffraction pattern. The powder diffraction data of 3,000 points have been subjected to general structural analysis system (GSAS) software to arrive at a satisfactory structural fit with R-p = 0.0623 and R-wp = 0.0915. The following unit cell parameters have been calculated: a = b = 8.83498(18) angstrom, c = 22.7821(8) angstrom and alpha = beta = 90.0 degrees gamma = 120.0 degrees. The structure of NZP consists of ZrO6 octahedra and PO4 tetrahedra linked by the corners to form a three-dimensional network. Each phosphate group is on a two-fold rotation axis and is linked to four ZrO6 octahedra. Each zirconium octahedron lies on a threefold rotation axis and is connected to six PO4 tetrahedra. AC conductivity of the solid solution has been measured between 303 and 773 K. The material exhibits temperature-dependent enhancement of ionic conduction by approximate to 400 times at elevated temperatures. The activation energies show significant change in slope at 1,000/T = 2.23(448 K).
机译：磷酸锆钠NaZr2P3O12（以下称NZP）以菱形（六边形）对称与空间群R-3c结晶。合成铁取代的NZP的NZP相关相已通过在锆位点上被Fe（III）部分取代而制备。该材料是通过在1050℃的马弗炉中烧结细粉状氧化物混合物而合成的。Na1.2Zr1.8Fe0.2（PO4）（3）的多晶相的特征在于其典型的粉末衍射图。 3,000个点的粉末衍射数据已通过通用结构分析系统（GSAS）软件处理，以达到令人满意的结构拟合，R-p = 0.0623和R-wp = 0.0915。已计算出以下晶胞参数：a = b = 8.83498（18）埃，c = 22.7821（8）埃，alpha = beta = 90.0度，伽马= 120.0度。 NZP的结构由ZrO6八面体和PO4四面体组成，它们通过边角相连以形成三维网络。每个磷酸酯基团在两倍旋转轴上，并与四个ZrO6八面体相连。每个锆八面体位于三重旋转轴上，并连接到六个PO4四面体。固溶体的交流电导率已在303至773 K之间进行了测量。该材料在高温下表现出与温度相关的离子传导增强能力，约为400倍。活化能在1,000 / T = 2.23（448 K）时显示出明显的斜率变化。

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