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Low-temperature phase transition and magnetic properties of K3YbSi2O7
Acta Crystallographica Section B ( IF 2.684 ) Pub Date : 2021-07-27 , DOI: 10.1107/s2052520621006077
Predrag Dabić , Volker Kahlenberg , Biljana Krüger , Marko Rodić , Sabina Kovač , Jovan Blanuša , Zvonko Jagličić , Ljiljana Karanović , Václav Petříček , Aleksandar Kremenović

The new ambient-temperature hexagonal (space group P63/mmc) polymorph of tripotassium ytterbium(III) disilicate (β-K3YbSi2O7) has been synthesized by the high-temperature flux method and subsequently structurally characterized. In the course of the temperature-dependent single-crystal diffraction experiments, a phase transformation of β-K3YbSi2O7 to a novel low-temperature orthorhombic phase (β′-K3YbSi2O7, space group Cmcm) has been observed at about 210 K. β-K3YbSi2O7 is isostructural with K3ErSi2O7, whereas β′-K3YbSi2O7 adopts a new type of structure. Both compounds can be built up from a regular alternation of layers of two types, which are parallel to the (001) plane. In the octahedral layer, YbO6 octahedra are isolated and linked by K1O6+3 polyhedra. The second, slightly thicker sorosilicate layer is formed by a combination of Si2O7 dimers and K2O6+3 polyhedra. The boundary between the layers is a pseudo-kagome oxide sheet based on 3.6.3.6 meshes. The phase transition is due to a tilt of the two SiO4 tetrahedra forming a single dimer which induces a decrease of the Si—O—Si angle between bridging Si—O bonds from 180° (dictated by symmetry in space group P63/mmc) to ≃164°. Magnetic characterization indicates that K3YbSi2O7 remains paramagnetic down to 2 K, showing no apparent influence of the phase transformation on its magnetic properties. Analysis of the magnetization data revealed the positions of the three lowest crystal field levels of the Yb3+ cations, as well as the corresponding projections of their angular momentum on the direction of the magnetic field.

中文翻译:

K3YbSi2O7 的低温相变和磁性能

已经通过高温熔剂法合成了钾镱(III)二硅酸盐(β-K 3 YbSi 2 O 7)的新的常温六方晶型(空间群P 6 3 /mmc)多晶型物,并随后对其进行了结构表征。在温度依赖性单晶衍射实验过程中,β-K 3 YbSi 2 O 7相转变为新型低温正交晶相(β'-K 3 YbSi 2 O 7,空间群Cmcm)具有在大约 210 K 观察到。 β-K 3 YbSi 2O 7与K 3 ErSi 2 O 7同构,而β'-K 3 YbSi 2 O 7 则采用新型结构。两种化合物都可以由平行于 (001) 平面的两种类型的层的规则交替构成。在八面体层中,YbO 6八面体被K1O 6+3多面体孤立和连接。第二个稍厚的硅酸盐层由 Si 2 O 7二聚体和 K2O 6+3的组合形成多面体。层之间的边界是基于 3.6.3.6 网格的伪 kagome 氧化物片。相变是由于形成单个二聚体的两个 SiO 4四面体的倾斜导致桥接 Si-O 键之间的 Si-O-Si 角从 180° 减小(由空间群P 6 3 / 中的对称性决定)mmc ) 到 ≃164°。磁性表征表明,K 3 YbSi 2 O 7在低至 2 K 时仍保持顺磁性,表明相变对其磁性没有明显影响。对磁化数据的分析揭示了 Yb 3+的三个最低晶体场能级的位置 阳离子,以及它们的角动量在磁场方向上的相应投影。
更新日期:2021-08-05
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