A2(MO43型化合物的晶体结构与热膨胀性质的研究

Crystal structure and thermal expansion property of A2(MO43 compounds

  • 摘要: 采用固相化学反应方法成功合成了GdY(WO4)3,Gd2(MoO4)3,DyGd(MoO4)3,DyTb(MoO4)3,利用高、低温X射线衍射方法对其结构及其晶胞参数随温度的变化进行了研究。结果表明GdY(WO4)3,Gd2(MoO4)3,DyGd(MoO4)3,DyTb(MoO4)3化合物的晶胞体积均随温度的升高而增大,为正热膨胀系数材料。通过对其晶体结构进行认真分析并与负热膨胀系数材料Sc2(WO4)3的结构进行对比,认为这四种化合物分别属于α-Gd2(MoO4)3型和CaWO4(白钨矿)型的结构相:其结构相对致密,氧原子不再只是两配位,不满足产生负热膨胀必要的结构条件,因此所合成的材料没有产生负热膨胀效应。

     

    Abstract: To search for new negative thermal expansion (NTE) materials with the similar structure of Sc2W3O12,GdY(WO43,Gd2(MoO43, DyGd(MoO43 and DyTb(MoO43 compounds were synthesized by the standard solid state reaction technique. The variation of cell parameters of these compounds with temperature was measured by powder X-ray diffraction.Unfortunately, it is found that these four kinds of compounds exhibit normal positive thermal expansion in the measured temperature range. The structure analysis indicates that the GdY(WO43 is monoclinic CaWO4 (scheelite) type structure, while the Gd2(MoO43, DyGd(MoO43, DyTb(MoO43 compounds are orthorhombic α-Gd2(MoO43 type. Both types of structure are relative denser compared with that of negative thermal expansion material Sc2(WO43. Moreover, the coordination of some oxygen atoms is three in the CaWO4(scheelite) type and the α-Gd2(MoO43 structures. Therefore, the structures can not meet requirements for thermal contraction that the structure is an open, low-density framework and the coordination of oxygen is twofold. So it is impossible to show negative thermal expansion in these compounds.

     

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