铪,加合(1:2)铁 | 12023-12-0

• 分子结构分类: 无机化合物 - 均相金属化合物 - 均相过渡金属化合物
• 中文名称: 铪,加合(1:2)铁
• 英文名称: Hafnium;iron
• 英文别名: hafnium;iron
• CAS: 12023-12-0
• 化学式: Fe₂Hf
• 分子量: 290.184
• InChiKey: HGWOBERUERISLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  3
• 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

• 作为反应物：
  描述：

  铪,加合(1:2)铁 、 氢气 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Magnetic hyperfine field at Hf site in Hf(Fe1-xCox)2 and Hf(Fe1-xCox)2Hy at low Co concentration measured by TDPAC

  摘要：

  The magnetic hyperfine field (mhf) on Ta-181 at Hf site was measured for the pseudobinary alloys Hf(Fe1-xCox)(2) and Hf(Fe1-xCox)(2)H-y with 0 less than or equal to x less than or equal to 0.4 and y similar to 0.15. The results show three different values for the mhf in the range 0.01 less than or equal to x less than or equal to 0.1 which we believe are associated with the following Hf nearest neighbour configurations: (12 Fe), (11 Fe, 1 Co) and (10 Fe, 2 Co). Relative magnitudes of the mhf for each configuration show that a short-range magnetic interaction is predominant in these compounds. (C) 1998 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0304-8853(97)00322-3
• 作为产物：
  描述：

  铁粉 、 铪 以 solid 为溶剂， 生成 铪,加合(1:2)铁
  参考文献：
  名称：

  高温直接合成量热法测定某些过渡金属金属间化合物的标准生成焓

  摘要：

  摘要 过渡金属的一些金属间化合物的标准生成焓已通过高温直接合成量热法在 1373 ± 2 K 下进行测量。报告了以下结果（以 kJ/mol 原子计）：ScM n 2 ( − 26.1 ± 1.9 ); S c 4 O s 11 ( − 22.6 ± 3.0 ) ；TiM n 2 ( − 8.6 ± 1.6 ) ；V 2 Hf ( − 16.7 ± 1.7 ) ；VIr ( − 28.1 ± 1.7 ) ；F e 2 Hf ( − 12.3 ± 1.1 ) ；F e 7 N b 6 ( − 6 .2 ± 1.8 ) ；C o 3 Nb ( − 7.4 ± 1.9 ) ；C o 3 Ta ( − 8.5 ± 2.2 ) ；NiY ( − 32.9 ± 1.7 ) 将这些值与通过 EMF 和量热法获得的一些早期实验结果进行比较。还将它们与 Miedema 和同事的预测值进行比较。我们将展示生成焓如何与过渡金属的原子序数相关的系统图。

  DOI：

  10.1016/j.jallcom.2005.08.006

文献信息

• High-Temperature Zero Thermal Expansion in HfFe_2+δ from Added Ferromagnetic Paths
  作者：Meng Xu、Yuzhu Song、Yuanji Xu、Qiang Sun、Feixiang Long、Naike Shi、Yongqiang Qiao、Chang Zhou、Yang Ren、Jun Chen

  DOI：10.1021/acs.chemmater.2c01732

  日期：2022.11.8

  Deformation caused due to the thermal expansion of a material at high temperatures impairs the functioning of the device. Hence, high-temperature zero thermal expansion (ZTE) compounds are widely used in many high-precision devices. However, the domination of magnetic behavior over the thermal expansion of magnetic compounds makes it difficult to display ZTE at high temperatures. Herein, we report a high-temperature

  由于材料在高温下的热膨胀引起的变形会损害设备的功能。因此，高温零热膨胀 (ZTE) 化合物广泛用于许多高精度设备中。然而，磁性化合物的热膨胀对磁性行为的支配使得在高温下显示中兴通讯变得困难。在此，我们报道了富铁 HfFe 2+δ中的高温 ZTE化合物，其中兴通讯的工作温度可以达到583 K，是中兴通讯金属基化合物达到的最高温度。同步加速器 X 射线衍射 (SXRD)、中子粉末衍射、穆斯堡尔光谱、第一性原理计算和宏观磁测量表明，额外的 Fe 原子占据 Hf 位点并引入了与相邻 Fe 原子的额外铁磁交换相互作用路径，从而增强磁转变温度和中兴温度区域。此外，实验表明，HfFe 2.5生成 ZTE是由于Fe的磁矩从有序状态转变为无序状态引起的晶格收缩和晶格振动引起的晶格膨胀相互抵消。该研究不仅报道了一种高温 ZTE 材料，还提供了一种不寻常的方法来调制磁系统以获得高温 ZTE 化合物。
• Negative Thermal Expansion in (Hf,Ti)Fe₂ Induced by the Ferromagnetic and Antiferromagnetic Phase Coexistence
  作者：Yongqiang Qiao、Yuzhu Song、Kun Lin、Xinzhi Liu、Alexandra Franz、Yang Ren、Jinxia Deng、Rongjin Huang、Laifeng Li、Jun Chen、Xianran Xing

  DOI：10.1021/acs.inorgchem.8b03600

  日期：2019.5.6

  Negative thermal expansion (NTE) is an intriguing physical phenomenon that can be used in the applications of thermal expansion adjustment of materials. In this study, we report a NTE compound of (Hf,Ti)Fe2, while both end members of HfFe2 and TiFe2 show positive thermal expansion. The results reveal that phase coexistence is detected in the whole NTE zone, in which one phase is ferromagnetic (FM)

  负热膨胀（NTE）是一种引人入胜的物理现象，可用于材料热膨胀调节的应用中。在这项研究中，我们报告了（Hf，Ti）Fe 2的NTE化合物，而HfFe 2和TiFe 2的两个末端成员都显示出正的热膨胀。结果表明，在整个NTE区域中检测到相共存，其中一个相是铁磁（FM），而另一相是反铁磁（AFM）。随着温度的升高，FM相逐渐转变为AFM相。在当前的（Hf，Ti）Fe 2中发生NTE现象因为AFM相的晶胞体积小于FM相的晶胞体积，并且AFM相的质量分数随温度升高而增加。相共存的构建可以成为在未来研究中获得NTE材料的一种方法。
• Ferromagnetic-to-antiferromagnetic transition in (Hf1−xTix)Fe2 intermetallic compounds induced by geometrical frustration of the Fe(2a) sites
  作者：N.N. Delyagin、A.L. Erzinkyan、V.P. Parfenova、I.N. Rozantsev、G.K. Ryasny

  DOI：10.1016/j.jmmm.2008.02.149

  日期：2008.6

  The ferromagnetic-to-antiferromagnetic transition in the hexagonal (Hf1-xTix)Fe-2 (0 <= x <= 1) intermetallic compounds has been investigated by Fe-57 Mossbauer spectroscopy. At 10 K, the transition occurs within rather narrow concentration limits, around x 0.55-0.65. We found that the key factor governing the unexpected quick change of the magnetic structure is the magnetic frustration of the Fe(2a) sites. The magnetic frustration is caused by the noncollinearity of the Fe(6h) magnetic sublattice. The noncollinearity arises from the rotation of the magnetic moments due to the competition between the ferromagnetic exchange interactions and the antiferromagnetic Fe(6h)-Ti-Fe(6h) interaction. In the compounds with x = 0.4-0.6, the temperature transitions to the antiferromagnetic state are observed. As an example, the Hf0.4Ti0.6Fe2 compound is completely antiferromagnetic above 200 K. (c) 2008 Elsevier B.V. All rights reserved.
• Cross over between ferro and antiferromagnetic order in Fe itinerant electron magnetism: An experimental and theoretical study of the model (Hf,Ta)Fe 2 Laves phases
  作者：L.V.B. Diop、D. Benea、S. Mankovsky、O. Isnard

  DOI：10.1016/j.jallcom.2015.04.134

  日期：2015.9

  Band structure calculations are reported to describe the effects of Ta for Hf substitution on the electronic structure of the Laves phase of HfFe2. According to experimental results emphasis is put on the investigation of the Hf0.825Ta0.175Fe2 composition in comparison with the reference HfFe2 and TaFe2 compounds. By investigation of the theoretical interatomic exchange interactions constants, we showed the influence of the magnetovolume effect on the magnetic phase stability for one intermediate composition Hf0.825Ta0.175Fe2, chosen in the most interesting part of the magnetic phase diagram with coexistence of ferromagnetic (FM) and antiferromagnetic (AF) behaviour. Evolution of the a lattice parameter is found to drive the change from FM to AF magnetic order. A detailed study of the interatomic Fe-Fe exchange coupling constants and their lattice dependence reveals that the ferromagnetic interaction with the first shell is strongly reduced upon contraction of the a lattice parameter. (C) 2015 Elsevier B.V. All rights reserved.
• Hf7P4: A New Binary Phosphide Synthesized by a Surprising Route
  作者：Holger Kleinke、Hugo F. Franzen

  DOI：10.1002/anie.199619341

  日期：1996.9.20

  A flux is essential for the synthesis of Hf7P4, which has been obtained by the reaction of Hf with Fe and HfP. The compound proved to be thermodynamically stable and iron‐free, but could not be synthesized without the addition of iron as a flux material. Hf7P4 is surprisingly isostructural with Zr7P4, and a possible explanation for this is given based on COOP calculations.