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3(BO3)4]]>

机译：<！[CDATA [单晶稀土钪的结构不稳定性 Re SC 3 （bo 3 ） 4 ]]>

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摘要

An influence of the type of rare-earth ( RE ) cation and composition of initial charge on the symmetry, structural features, and real composition of the single-crystal huntite family rare-earth scandium borates RE Sc_(3)(BO_(3))_(4) ( RE = Ce, Pr, Nd), grown by the Czochralski method, has been studied by single crystal and powder X-ray diffraction. A crystallization of scandium borates in the space groups C 2/ c ( RE = Ce) and P 321 ( RE = Pr, Nd) has been found. Disordering in the structures with the space group P 321, which has been first determined for the huntite family compounds, is due to the RE and Sc redistribution over two trigonal-prismatic sites to maintain the stability of crystal structure. The crystals grown from the initial charges NdSc_(3)(BO_(3))_(4) and Nd_(1.25)Sc_(2.75)(BO_(3))_(4) are characterized by the greatest disordering, and they are isotypic, rather than isostructural, to the crystals obtained from the charges Pr_(1.1)Sc_(2.9)(BO_(3))_(4) and Pr_(1.25)Sc_(2.75)(BO_(3))_(4). A change in the unit cell parameters and interatomic distances depending on the RE radius and composition of the initial charge is found and explained. Analysis of our and literary data for RE Sc_(3)(BO_(3))_(4) with the RE = La, Ce, Pr, Nd, Sm, Eu allowed to reveal a morphotropic series for scandium borates based on the size factor (the RE ~(3+) radius), suggest methods for evaluating the specific crystal symmetry depending on the type of RE cation, and propose factors affecting its realization. The comparison of huntite family REM _(3)(BO_(3))_(4) (M = Al, Ga, Sc) single crystals allowed to establish basic differences between their crystal structures, mainly due to the different sizes of RE and M ions.
机译：稀土（重新）阳离子和组成对对称，结构特征和实际组成的稀土元素和组成的影响，单晶Huntite家族稀土钪硼酸锰Re Sc_（3）（Bo_（3）通过Czochralski方法生长的（Re = Ce，Nd）已经通过单晶和粉末X射线衍射研究。已经发现了空间基团C 2 / C（Re = Ce）和P 321（Re = Pr，Nd）中的钪硼酸钪的结晶。已经首先针对Huntite家族化合物确定的空间组P 321的结构中的障碍是由于两个三角形棱镜部位的RE和SC再分配，以保持晶体结构的稳定性。从初始电荷NDSC_（3）（BO_（3））_（4）和ND_（1.25）SC_（2.75）（BO_（3））_（4）的特征是从最大的排放，并且它们是从电荷Pr_（1.1）Sc_（2.9）（Bo_（3））_（4）和PR_（1.25）SC_（BO_（3））_（BO_（3））_（4） 。发现并解释了根据RE半径和初始电荷的组成的单元电池参数和内部距离的变化。通过RE = LA，CE，PR，ND，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，SM，允许基于尺寸显示Morphotopic系列的Morphotopic系列因子（RE〜（3+）半径），提出根据重新阳离子类型评估特定晶体对称的方法，并提出影响其实现的因素。 Huntite家族REM _（3）（BO_（3））_（4）（M = Al，GA，SC）单晶允许在其晶体结构之间建立基本差异，主要是由于RE和RE的不同尺寸M离子。

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  • 来源
    《Crystal growth & design》 |2018年第3期|共10页
  • 作者

    GalinaM. Kuz’micheva; Irina A. Kaurova; Victor B. Rybakov; Vadim V. Podbel’sky; Nikolay K. Chuykin;

  • 作者单位

    Institute of Fine Chemical Technologies Moscow Technological University Vernadskogo pr. 86 Moscow 119571 Russia;

    Institute of Fine Chemical Technologies Moscow Technological University Vernadskogo pr. 86 Moscow 119571 Russia;

    Lomonosov State University Vorobyovy Gory Moscow 119992 Russia;

    Higher School of Economics National Research University Myasnitskaya str. 20 Moscow 101000 Russia;

    Higher School of Economics National Research University Myasnitskaya str. 20 Moscow 101000 Russia;

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  • 中图分类 晶体学;
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