yttrium hexaboride

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: yttrium hexaboride
• 化学式: B₆Y
• 分子量: 153.772
• InChiKey: DNHPNTVOQVYLAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.11
• 重原子数：
  7.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  yttrium hexaboride 、 氮 以 neat (no solvent) 为溶剂， 生成 氮化硼
  参考文献：
  名称：

  Atomic structure of boron nitride nanotubes with an armchair-type structure studied by HREM

  摘要：

  Hexagonal networks of boron nitride (BN) nanotubes were investigated by high-resolution electron microscopy (HREM) and image simulation. From HREM images, lattice planes of {002} and hexagonal rings of a BN nanotube were confirmed. Asymmetrical layer arrangements were found, and a structure model for double-walled BN nanotube with an armchair-type structure has been proposed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.ssc.2003.11.027
• 作为产物：
  描述：

  yttrium(III) oxide 、 硼烷 以 neat (no solvent) 为溶剂， 生成 yttrium hexaboride
  参考文献：
  名称：

  TbB 6，DyB 6，HoB 6和YB 6熔解不均的单晶生长和性能

  摘要：

  报告了使用无坩埚垂直浮区法不融化的TbB 6，DyB 6，HoB 6和YB 6的单晶生长的详细信息。报告并讨论了磁化率。建议在30到25.6 K之间的DyB 6中发生反铁四极顺序。

  DOI：

  10.1006/jssc.1997.7427

文献信息

• A new yttrium higher boride: YB50
  作者：T. Tanaka、S. Okada、Y. Ishizawa

  DOI：10.1016/0925-8388(94)90802-8

  日期：1994.3

  Abstract A new yttrium higher boride was found to exist between known higher boride phases of YB12 and YB66. A single phase was established at a nominal composition of [B]/[Y] = 50. X-ray powder diffraction and electron diffraction analyses showed that the crystal system of YB50 is orthorhombic (space group P21212) with a = 1.662 51(9) nm, b = 1.761 98(11) nm and c = 0.947 97(3) nm. Rare earth elements

  摘要 发现YB12 和YB66 的已知高硼化物相之间存在一种新的高硼化钇。在 [B]/[Y] = 50 的标称组成下建立了单相。 X 射线粉末衍射和电子衍射分析表明 YB50 的晶系是正交晶系（空间群 P21212），a = 1.662 51(9 ) nm, b = 1.761 98(11) nm 和 c = 0.947 97(3) nm。从 Tb 到 Lu 的稀土元素给出了 YB50 结构的相。
• Synthesis and Characterization of Single-Phase Metal Dodecaboride Solid Solutions: Zr_1–<i>x</i>Y_<i>x</i>B₁₂ and Zr_1–<i>x</i>U_<i>x</i>B₁₂
  作者：Georgiy Akopov、Wai H. Mak、Dimitrios Koumoulis、Hang Yin、Bryan Owens-Baird、Michael T. Yeung、Mit H. Muni、Shannon Lee、Inwhan Roh、Zachary C. Sobell、Paula L. Diaconescu、Reza Mohammadi、Kirill Kovnir、Richard B. Kaner

  DOI：10.1021/jacs.9b03482

  日期：2019.6.5

  Single-phase metal dodecaboride solid solutions, Zr0.5Y0.5B12 and Zr0.5U0.5B12, were prepared by arc melting from pure elements. The phase purity and composition were established by powder X-ray diffraction (PXRD), energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), and 10B and 11B solid-state nuclear magnetic resonance (NMR) spectroscopy. The effects of carbon addition

  单相金属十二硼化物固溶体 Zr0.5Y0.5B12 和 Zr0.5U0.5B12 是由纯元素电弧熔炼制备的。通过粉末 X 射线衍射 (PXRD)、能量色散 X 射线光谱 (EDS)、X 射线光电子能谱 (XPS) 以及 10B 和 11B 固态核磁共振 (NMR) 确定相纯度和组成光谱学。研究了将碳添加到 Zr1-xY xB12 中的影响，发现碳会导致快速冷却并因此导致晶粒快速成核，以及表面形态的“模板化”和图案化效应。Zr0.5Y0.5B12 相在 0.49 N 载荷下的硬度为 47.6 ± 1.7 GPa，比其母体化合物 ZrB12 和 YB12 的硬度值高约 17%，硬度值为 41.6 ± 2.6 和 37.5 ± 4.3 GPa，分别。Zr0.5U0的硬度。5B12 比其 UB12 亲本高约 54%。通过能带结构计算、漫反射紫外-可见光和固态核磁共振光谱证实十二硼化物是金属的。十二硼化物颜色（ZrB12
• The ternary RE–Si–B systems (RE=Dy, Ho, Er and Y) at 1270K: Solid state phase equilibria and magnetic properties of the solid solution REB2−xSix (RE=Dy and Ho)
  作者：Jérome Roger、Volodymyr Babizhetskyy、Thierry Guizouarn、Kurt Hiebl、Roland Guérin、Jean-François Halet

  DOI：10.1016/j.jallcom.2005.09.012

  日期：2006.6

  RE 5 Si 3 B x of Mn 5 Si 3 -type and the solid solution REB 2− x Si x of AlB 2 -type. Prior to this work, the binary systems RE–Si and RE–B, which form the boundary of each diagram, were also re-investigated. In addition to the structures of RE 5 Si 3 (Mn 5 Si 3 -type, RE = Dy, Ho and Y) and Dy 3 Si 4 (Ho 3 Si 4 -type) which were previously reported or will be presented in a forthcoming paper, the

  摘要 利用 X 射线衍射、扫描电子显微镜和电子探针微量分析等实验技术，在 1270 K 下测定了三元 RE-Si-B 图中的固态相平衡（RE = Dy、Ho、Er 和 Y）。通常，每个图都获得了三个三元相：具有四方对称性的线状化合物 RE 5 Si 2 B 8、Mn 5 Si 3 型的硼插入 Nowotny 相 RE 5 Si 3 B x 和固溶体 REB 2 - x Si x 的AlB 2 -型。在这项工作之前，还重新研究了构成每个图边界的二元系统 RE-Si 和 RE-B。除了先前报道或将在即将发表的报告中介绍的 RE 5 Si 3 （Mn 5 Si 3 型，RE = Dy、Ho 和 Y）和 Dy 3 Si 4（Ho 3 Si 4 型）的结构之外纸，RE 5 Si 4（Sm 5 Ge 4 型，RE = Dy 和 Ho）、DySi（CrB 型）和 HoSi 的 X 射线单晶结构在两种多晶型变体中，即
• Thermodynamic Ground States of Multifunctional Metal Dodecaborides
  作者：Yongcheng Liang、Yubo Zhang、Haitao Jiang、Liangcai Wu、Wenqing Zhang、Kilian Heckenberger、Kathrin Hofmann、Andreas Reitz、Frederick C. Stober、Barbara Albert

  DOI：10.1021/acs.chemmater.8b04776

  日期：2019.2.12

  A large class of metal dodecaborides (MB12) is currently raising great expectations as multifunctional materials, but their refined structures are not fully resolved, which severely limits the understanding of structure–property relationships. Here, we report that the tetragonal tI26 structure is the thermodynamic ground state of ScB12, and we predict the tetragonal YB12, ZrB12, and HfB12 to be metastable, whereas the cubic cF52 structure is the high-temperature phase of ScB12 and represents the thermodynamic ground state of YB12, ZrB12, and HfB12. Crystal structures based on experimental synchrotron data are reported for tetragonal ScB12 and cubic YB12, and high-temperature X-ray data prove the phase transformation into cubic ScB12. In both types of crystal structures, the most prominent feature is that the boron atoms are linked into a rigid three-dimensional network of interconnected, empty B12-cuboctahedra with metal atoms in large cages in form truncated octahedra consisting of 24 boron atoms. It is the uniqueness of these configurations that causes unusual functionalities, i.e., the coexistence of high hardness, low density, and good electrical conductivity. Furthermore, we elucidate that these physical properties are of electronic origins. These findings not only resolve the longstanding structural puzzle of this family of MB12 but also provide crucial insights into the underlying nature of their remarkable properties.

  目前，一大类金属十二硼化物（MB12）作为多功能材料正被寄予厚望，但它们的精细结构尚未完全解析，这严重限制了对结构-性能关系的理解。在此，我们报告了四方 tI26 结构是 ScB12 的热力学基态，并预测四方 YB12、ZrB12 和 HfB12 是可转移的，而立方 cF52 结构是 ScB12 的高温相，代表了 YB12、ZrB12 和 HfB12 的热力学基态。根据同步加速器实验数据报告了四方ScB12和立方YB12的晶体结构，高温X射线数据证明了ScB12向立方ScB12的相变。在这两类晶体结构中，最突出的特点是硼原子与金属原子连接成一个由 24 个硼原子组成的截断八面体构成的相互连接的、空的 B12 立方体的刚性三维网络。正是这些构型的独特性导致了它们不同寻常的功能，即高硬度、低密度和良好导电性的共存。此外，我们还阐明了这些物理特性的电子起源。这些发现不仅解决了这个 MB12 家族长期以来的结构难题，还为我们深入了解其非凡特性的内在本质提供了重要启示。
• Radial X‐Ray Diffraction Study of Superhard Early Transition Metal Dodecaborides under High Pressure
  作者：Jialin Lei、Georgiy Akopov、Michael T. Yeung、Jinyuan Yan、Richard B. Kaner、Sarah H. Tolbert

  DOI：10.1002/adfm.201900293

  日期：2019.5

  The deformation behavior of the three metal dodecaborides (YB12, ZrB12, and Zr0.5Y0.5B12) is investigated using radial X‐ray diffraction under nonhydrostatic compression up to ≈60 GPa with a goal of understanding how bonding and metal composition control hardness. Zr0.5Y0.5B12, which has the highest Vickers hardness (Hv = 45.8 ± 1.3 GPa at 0.49 N load), also shows the highest bulk modulus (K0 = 320

  使用径向X射线衍射在高达约60 GPa的非静压下使用径向X射线衍射研究了三种金属十二硼化物（YB 12，ZrB 12和Zr 0.5 Y 0.5 B 12）的变形行为，旨在了解如何控制键合和金属成分的控制硬度。具有最高维氏硬度（在0.49 N负载下Hv = 45.8±1.3 GPa）的Zr 0.5 Y 0.5 B 12也显示出最高的体积模量（K 0 = 320±5 GPa）。ZrB 12和YB 12的0.49 N硬度都较低且非常相似，并且都显示较低的体积模量（分别为K 0 = 276±7 GPa和K 0 = 238±6 GPa）。然后测量压差以研究强度和强度各向异性。Zr 0.5 Y 0.5 B 12支持最高的差应力，与其高硬度相一致，这很可能是Zr和Y的原子尺寸不匹配以及硼笼的刚性网络共同作用的结果。所有样本的（200）平面都支持最大的微分应变，而（111）平面则支持最小的微分应变，这与111}的理论预测滑移系统一致