Neodymium--nickel (1/3) | 12300-07-1

• 分子结构分类: 无机化合物 - 均相金属化合物 - 金属间镧系化合物
• 英文名称: Neodymium--nickel (1/3)
• 英文别名: neodymium;nickel
• CAS: 12300-07-1
• 化学式: NdNi₃
• 分子量: 320.31
• InChiKey: BLYNBWYJHHNLDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  4
• 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：

  镍 、 三氢化钕 反应 10.0h， 生成 Neodymium--nickel (1/3)
  参考文献：
  名称：

  X射线和中子衍射分析Nd-Ni合金氘化物相的晶体结构

  摘要：

  目前工业上使用的吸氢合金会形成残余氢，降低合金的可逆氢容量，降低其使用寿命。RNi 3金属间化合物，其具有由MgZn 2型和CaCu 5型电池组成的PuNi 3型晶体结构，并表现出与其加氢特性相关的结构变化，一直是许多研究的重点，但只有少数这些报告侧重于残余氢和合金结构之间的相互作用。因此，本研究旨在阐明 MgZn 2型和 CaCu 5中的残余氢占据机制。型电池在氢吸收-解吸过程中。使用X射线衍射（XRD）和中子粉末衍射（NPD）研究了NdNi 3 D x的结构变化和氘占据。在氘吸收-解吸过程中，对NdNi 3、NdNi 3 D 2.6、NdNi 3 D 3.2、NdNi 3 D 4.0和NdNi 3 D 4.8进行了Rietveld细化。在第一次吸收过程中氘容量达到0.9 D/M，在248  K第一次解吸后形成0.7 D/M的残余氘。对于NdNi 3 D2.6 (阶段II)，MgZn 2型和CaCu

  DOI：

  10.1016/j.jallcom.2022.166557

文献信息

• Structure–properties relationship in RE3−Mg Ni9H10–13 (RE = La,Pr,Nd) hydrides for energy storage
  作者：Volodymyr Yartys、Roman Denys

  DOI：10.1016/j.jallcom.2014.12.091

  日期：2015.10

  (c) Neutron powder diffraction shows a nearly equal distribution of D atoms within the REMgNi 4 and RENi 5 layers; (d) Local hydrogen ordering occurs within the H-sublattice built from MgH 6 octahedra and NiH 4 tetrahedra displaying a directional metal–hydrogen bonding. A partial substitution of Mg for RE allows the electrochemical discharge capacity of the (La,Pr,Nd) 3 − x Mg x Ni 9 hydrides to become

  摘要 三元RE 3 − x Mg x Ni 9 金属间化合物是很有前途的电池电极材料。(La,Pr,Nd) 3 − x Mg x Ni 9 H 10 – 13 氢化物和初始金属间化合物的结构-性能关系的研究表明： (a) 镁含量的增加导致三角单元的逐渐收缩所有研究的稀土金属的电池 ( a , c , V )，镁在 REMg 2 Ni 9 中的溶解度范围达到最高；(b) 随着镁含量从 x = 1.0 增加到 1.1-1.2 并用 Pr 和 Nd 替代 La，热力学稳定性显着降低，解吸压力在很宽的范围内变化，从 0.01 bar 到 20 bar H 2 ; (c) 中子粉末衍射显示 REMgNi 4 和 RENi 5 层内 D 原子的分布几乎相等；(d) 局部氢有序发生在由 MgH 6 八面体和 NiH 4 四面体构建的 H 亚晶格内，显示出定向金属-氢键。用 Mg 部分替代 RE 可使 (La
• Fokin, V. N.; Tarasov, B. P.; Korobov, I. I., Koordinatsionnaya Khimiya, 1992, vol. 18, p. 454 - 460
  作者：Fokin, V. N.、Tarasov, B. P.、Korobov, I. I.、Shilkin, S. P.

  DOI：——

  日期：——
• Burnasheva, V. V.; Tarasov, B. P.; Semenenko, K. N., Russian Journal of Inorganic Chemistry, 1982, vol. 27, p. 1722 - 1724
  作者：Burnasheva, V. V.、Tarasov, B. P.、Semenenko, K. N.

  DOI：——

  日期：——
• Synthesis, crystal structure and hydrogenation properties of the ternary compounds LaNi4Mg and NdNi4Mg
  作者：L Guénée、V Favre-Nicolin、K Yvon

  DOI：10.1016/s0925-8388(02)00797-1

  日期：2003.1

  The title compounds have been prepared by induction melting and investigated with respect to structure and hydrogenation properties. Both crystallise with the cubic MgCu4Sn type structure (space group F (4) over bar 3m, LaNi4Mg: a = 7.17-7.18 Angstrom, NdNi4Mg: a = 7.09875(1) Angstrom) and absorb reversibly up to 4 hydrogen atoms per formula unit at 7-8 bar and similar to50 degreesC. Synchrotron and neutron powder diffraction data on deuterated NdNi4Mg indicate an orthorhombic lattice distortion (NdNi4MgD3.6, space group Pmn2(1), a = 5.0767(2), b = 5.4743(2), c = 7.3792(3) Angstrom, DeltaV/V = 14.6%) and three almost fully occupied deuterium sites of which two are coordinated by a trigonal metal bipyramid ([A(2)B(3)] apices: A=2Nd, base: B=2Ni,Mg) and one is coordinated by a metal tetrahedron ([AB(3)] A = Nd, B = 3Ni). The hydride is stable at room temperature under I bar hydrogen pressure, but desorbs rapidly at 80 degreesC under vacuum. Under air it decomposes by catalytic water formation. (C) 2002 Elsevier Science B.V. All rights reserved.
• Electrochemical Formation of Nd-Ni Alloys in Molten LiF-CaF2-NdF3
  作者：S. Kobayashi、K. Kobayashi、T. Nohira、R. Hagiwara、T. Oishi、H. Konishi

  DOI：10.1149/2.072112jes

  日期：——

  The electrochemical formation of Nd-Ni alloys was investigated in a molten LiF-CaF2-NdF3 (0.30 mol %) system at 1123 K. Cyclic voltammetry and open-circuit potentiometry indicated the formation of several phases of Nd-Ni alloys. Potentiostatic electrolysis was conducted to prepare an alloy sample using a Ni plate electrode at 0.15 V vs. Li+/Li for 75 min. Cross-sectional scanning electron microscopy revealed that the entire Ni plate was transformed into Nd-Ni alloy. X-ray diffraction analysis confirmed that the alloy consisted predominantly of the NdNi2 phase with NdNi3 as the minor phase. When the electrolytic potential was changed to 0.35 V and 0.60 V after electrolysis at 0.15 V for 75 min, the resultant phases were NdNi3 and NdNi5, respectively. The formation potential for each Nd-Ni alloy phase was determined from the experimental results. (C) 2011 The Electrochemical Society. [DOI: 10.1149/2.072112jes] All rights reserved.