Aluminum-Iridium | 12337-40-5

• 分子结构分类: 无机化合物
• 英文名称: Aluminum-Iridium
• 英文别名: Iridium-Aluminum；Aluminium--iridium (1/1)；alumane;iridium
• CAS: 12337-40-5
• 化学式: AlIr
• 分子量: 219.202
• InChiKey: WJAXZAAOPRKORI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.19
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  铱 、 氢化铝 以 melt 为溶剂， 1099.84~1149.84 ℃ 、50.0 MPa 条件下， 反应 72.33h， 生成 Aluminum-Iridium
  参考文献：
  名称：

  Cu掺杂对Al-Ir立方准晶近似结构和热电性能的反常影响

  摘要：

  摘要 研究了 Cu 掺杂对 1/0 立方准晶近似 Al73.3-xCuxIr26.7 (x = 0-7) 的热电特性和结构特性（如晶格常数和密度）的影响。我们发现，尽管 Cu 的原子半径小于 Al 的原子半径，但晶格常数随着 Cu 浓度的增加而增加。这一发现表明，掺杂的 Cu 原子不仅取代了 Al，而且还添加到 Ir 二十面体簇中的间隙位置以扩大簇体积。这些建议也得到以下事实的支持：随着 Cu 含量的增加，由密度、晶格常数和分析成分确定的每个晶胞的原子数增加。所有样品的塞贝克系数 (S) 都表现出具有正值的金属行为。S 的 Cu 浓度依赖性显示 x = 3 掺杂样品的最大值。该结果表明置换铜原子有助于空穴掺杂，间隙铜原子有助于电子掺杂，这在电子上稳定了系统。目前的工作可能有助于理解准晶体和相关材料在广泛组成范围内的电子稳定机制。

  DOI：

  10.1016/j.jallcom.2018.05.199

文献信息

• MAl4Ir2 (M = Ca, Sr, Eu): superstructures of the KAu4In2 type
  作者：Nazar Zaremba、Volodymyr Pavlyuk、Frank Stegemann、Viktor Hlukhyy、Stefan Engel、Steffen Klenner、Rainer Pöttgen、Oliver Janka

  DOI：10.1007/s00706-022-03005-8

  日期：2023.1

  Three new iridium aluminum intermetallics CaAl₄Ir₂, SrAl₄Ir₂, and EuAl₄Ir₂ were synthesized from the elements using silica or tantalum ampoules. They crystallize in the tetragonal crystal system with space group P4/ncc and lattice parameters of a = 782.20(1) and c = 779.14(2) pm for CaAl₄Ir₂, a = 797.62(1) and c = 772.75(2) pm for SrAl₄Ir₂, and finally a = 791.78(5) and c = 773.31(5) pm for EuAl₄Ir₂. All compounds crystallize isostructurally and adopt a new structure type that can be derived from the KAu₄In₂ type structure. To compare the structures from a crystallographic point of view, a group–subgroup relation between KAu₄In₂ and EuAl₄Ir₂ as well as KAu₄In₂ and KAu₄Sn₂ have been established using the Bärnighausen formalism. Finally, quantum-chemical calculations have been conducted, showing that in all three title compounds, a polyanionic [Al₄Ir₂]^δ– network exists with significant (polar) bonding interactions, while the respective Ca^δ+, Sr^δ+, and Eu^δ+ cations are located in octagonal channels.

  Graphical abstract

  摘要利用二氧化硅或钽安瓿从元素中合成了三种新的铱铝金属间化合物CaAl4Ir2、SrAl4Ir2和EuAl4Ir2。它们在四方晶系中结晶，空间群为 P4/ncc，CaAl4Ir2 的晶格参数为 a = 782.20(1) 和 c = 779.14(2) pm，SrAl4Ir2 的晶格参数为 a = 797.62(1) 和 c = 772.75(2) pm，EuAl4Ir2 的晶格参数为 a = 791.78(5) 和 c = 773.31(5) pm。所有化合物都是等结构结晶，并采用了一种可从 KAu4In2 型结构衍生出来的新结构类型。为了从晶体学的角度对这些结构进行比较，我们使用贝尼格豪森形式主义建立了 KAu4In2 和 EuAl4Ir2 以及 KAu4In2 和 KAu4Sn2 之间的基团-亚基关系。最后，进行了量子化学计算，结果表明在所有这三种标题化合物中，都存在一个多阴离子[Al4Ir2]δ-网络，该网络具有显著的（极性）键相互作用，而各自的 Caδ+、Srδ+ 和 Euδ+ 阳离子则位于八边形通道中。 图表摘要
• On the partial atomic volume and the partial molar enthalpy of aluminium in some phases with Cu and Cu3Au structures
  作者：M. Ellner、K. Kolatschek、B. Predel

  DOI：10.1016/0022-5088(91)90062-9

  日期：1991.6

  The lattice parameters and macroscopic densities of the solid solutions of Co(Al), Rh(Al), Ir(Al), Ni(Al), Cu(Al), Ag(Al) and Au(Al) and the intermetallic compounds of Ni3AI and Ag2Al were measured over the whole range of homogeneity. The dependence of both the average atomic volume and the enthalpy of formation on mole fraction was investigated for the systems A9-Al (A9 = Co, Rh, Ir), A1O-Al (A10 = Ni, Pd, Pt) and B11-Al (B11 = Cu, Ag, Au). The partial atomic volume and the partial molar enthalpy of aluminium were analysed for phases with the Cu and CU3Au structures. Among the quasi-homological systems, the smallest values for the partial atomic volume of aluminium and the most negative values for the partial molar enthalpy of aluminium were found in the solid solutions A10' (Al). These indicate a strong charge transfer from aluminium-atoms to atoms of nickel, palladium and platinum.
• Band engineering in Al-TM (TM=Rh, Ir) quasicrystalline approximants via alloying and enhancement of thermoelectric properties
  作者：Yutaka Iwasaki、Koichi Kitahara、Kaoru Kimura

  DOI：10.1016/j.jallcom.2020.156904

  日期：2021.1

  The binary Al-Ir 1/0 quasicrystalline approximant is predicted to be a narrow band gap semiconductor with a large Seebeck coefficient; however, it has not yet been realized practically because the presence of Al vacancies causes excess hole doping, which results in a small Seebeck coefficient. Here, we synthesized and measured the true density, lattice constant, and thermoelectric properties of Al-(Rh,Ir) quasicrystalline approximants with a series of Al-73(.3)(RhxIr1-x)(26.7) (x = 0, 0.25, 0.5, 0.75,1.0) compositions. The number of atoms per unit cell calculated using the true density, nominal composition, and lattice parameter increased with increasing Rh content x. The compositional dependence of the Seebeck co-efficient and dimensionless figure of merit zT showed a maximum value at x = 0.25, 850 K. The results indicated that Rh doping could effectively suppress Al vacancies, and the width of the band gap decreased with increasing x. In other word, a trade-off was observed between the amount of Al vacancies and the width of the band gap between the Al-Ir and Al-Rh 1/0 quasicrystalline approximants. (C) 2020 Elsevier B.V. All rights reserved.
• Annealing of aluminium oxide coatings on iridium-coated isotropic graphite at high temperature in argon atmosphere
  作者：K. Mumtaz、J. Echigoya、H. Enoki、T. Hirai、Y. Shindo

  DOI：10.1016/0925-8388(94)91114-2

  日期：1994.7

  As-deposited amorphous or gamma phase aluminium oxide coatings on iridium-coated isotropic graphite substrate were transformed into alpha-Al2O3 coatings after annealing at 2073 K in Ar atmosphere. Annealing also induces very small porosities, growth and coarsening of grain in alpha-Al2O3 coatings. The reaction between aluminium oxide and iridium coatings resulted in the formation of thin layer of AlIr compound at the interface. The thickness of AlIr interfacial compound increases with time and temperature. Furthermore, annealed specimens exhibited good strain tolerance by not allowing cracking or spalling of the coatings and good adhesion with the substrate remained.