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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Novel derivatives of the CaIn2 type of structure: Yb1+xMg1-xGa4 (0 <= x <= 0.058) and YLiGa4
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Novel derivatives of the CaIn2 type of structure: Yb1+xMg1-xGa4 (0 <= x <= 0.058) and YLiGa4

机译：CaIn2结构类型的新型衍生物：Yb1 + xMg1-xGa4（0 <= x <= 0.058）和YLiGa4

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The compounds Yb1+xMg1-xGa4 (0 less than or equal to x less than or equal to 0.058) and YLiGa4 were synthesized by direct reaction of the elements in sealed niobium crucibles. The atomic arrangement of Yb1+xMg1-xGa4 (x = 0.058) represents a new structure type (space group P6m2, a = 4.3979(3) Angstrom and c = 6.9671(7) Angstrom) as evidenced by single crystal structure analysis and can be described as an ordered variant of CaIn2. YLiGa4 is isotypic to the ytterbium compound according to X-ray Guinier powder data (a = 4.3168(1) Angstrom and c = 6.8716(2) Angstrom). Measurements of the magnetic susceptibility of both compounds reveal intrinsic diamagnetic behaviour, i.e., ytterbium in the 4f(14) configuration for Yb1+xMg1-xGa4 (x = 0). From electrical resistivity data both compounds can be classified as metals. The compressibility of Yb1+xMg1-xGa4 (x = 0.058) as measured in diamond anvil cells by angle-dispersive X-ray diffraction is compatible with a valence change of the ytterbium atoms at high-pressures and indicates a slight anisotropy which is in accordance with the structural organisation of the gallium network. X-ray absorption spectra of the Yb L-III edge of Yb1+xMg1-xGa4 (x = 0.058) at pressures up to 25.0 GPa show a two-peak structure which reveals the presence of Yb in the 4f(14) and 4f(13) states. The amount of ytterbium in the 4f(13) state increases in two steps with progressing compression. The bonding analysis by means of the electron localization function reveals the Zintl-like character of both compounds and confirms the 4f(14) state for the majority of ytterbium atoms. [References: 35]
机译：Yb1 + xMg1-xGa4（0小于或等于x小于或等于0.058）和YLiGa4是通过元素在密封铌坩埚中的直接反应合成的。单晶结构分析表明，Yb1 + xMg1-xGa4（x = 0.058）的原子排列表示一种新的结构类型（空间群P6m2，a = 4.3979（3）埃，c = 6.9671（7）埃），并且可以描述为CaIn2的有序变体。根据X射线Guinier粉末数据（a = 4.3168（1）埃和c = 6.8716（2）埃），YLiGa4与the化合物同型。两种化合物的磁化率的测量都显示出固有的抗磁性能，即Yb1 + xMg1-xGa4（x = 0）处于4f（14）构型的y。从电阻率数据来看，两种化合物都可以归为金属。通过角度色散X射线衍射在金刚石砧室中测得的Yb1 + xMg1-xGa4（x = 0.058）的可压缩性与high原子​​在高压下的化合价兼容，并且表明存在轻微的各向异性镓网络的结构组织。 Yb1 + xMg1-xGa4（x = 0.058）的Yb L-III边缘在高达25.0 GPa的压力下的X射线吸收光谱显示了一个两峰结构，揭示了在4f（14）和4f（ 13）状态。随着压缩的进行，以4f（13）态存在的量分两步增加。通过电子定位功能的键合分析揭示了两种化合物的Zintl样特征，并确认了大多数the原子的4f（14）状态。 [参考：35]

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