Germane--lanthanum (4/5) | 12265-96-2

• 英文名称: Germane--lanthanum (4/5)
• 英文别名: germane;lanthanum
• CAS: 12265-96-2
• 化学式: Ge₄La₅
• 分子量: 984.887
• InChiKey: PEOAMSRUYAGQQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.81
• 重原子数：
  9
• 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：

  锗烷 、 三氢化镧 以 melt 为溶剂， 反应 1176.0h， 生成 Germane--lanthanum (4/5)
  参考文献：
  名称：

  Phase equilibria in the La–Mg–Ge system at 500°C and crystal structure of the new ternary compounds La11Mg2Ge7 and LaMg3−xGe2

  摘要：

  DOI：

  10.1016/j.jssc.2014.06.036

文献信息

• Phase relationships and crystal structure in the pseudobinary system La5Si4–La5Ge4
  作者：X.B. Liu、Z. Altounian

  DOI：10.1016/j.jallcom.2012.06.010

  日期：2012.11

  Phase relationships and crystal structures at room temperature in the pseudobinary system La5Si4La5Ge4 were investigated by X-ray powder diffraction. Two structurally distinct single phase regions were found in this system. The Si-rich La5Si4-xGex pseudobinary compounds with 0 <= x <= 2.9 crystallizes in Zr5Si4-type tetragonal structure with space group P4(1)2(1)2. The Ge-rich pseudobinary compounds with 3.1 <= x <= 4.0, adopt a Sm5Ge4-type orthorhombic structure with space group Pnma. The lattice parameters and atomic coordinates were derived using the Rietveld refinement method. The Wigner-Seitz cell volume (WSV) calculations indicate that the values of WSV for La atoms at different sites are sensitive to the crystal structure and Ge concentration, which is related to the structural transition induced by composition in La5Si4-La5Ge4 system. Crown Copyright (C) 2012 Published by Elsevier B.V. All rights reserved.
• Crystal structures of compounds in the pseudobinary system Gd5Ge4–La5Ge4
  作者：H.F. Yang、G.H. Rao、G.Y. Liu、Z.W. Ouyang、W.F. Liu、X.M. Feng、W.G. Chu、J.K. Liang

  DOI：10.1016/s0925-8388(03)00384-0

  日期：2003.10

  Crystal structures of compounds at ambient temperature in the pseudobinary system Gd5Ge4-La5Ge4 were studied by X-ray powder diffraction (XRD). There exist three single-phase regions in this system. The crystal structure of Gd5Ge4, La5Ge4 and Gd3La2Ge4, which are prototype compounds in three phase regions, respectively, were reported. The Gd5Ge4 and La5Ge4 crystallize in the orthorhombic Sm5Ge4-type structure with space group Pnma. The ternary intermediate compound Gd3La2Ge4, which is determined for the first time, crystallizes in the monoclinic Gd5Si2Ge2-type structure with space group P112(1)/a. The Rietveld powder diffraction profile fitting technique was used for the refinement of crystal structure. The lattice parameters, atomic occupations, interatomic distances of the Gd5Ge4, La5Ge4 and Gd3La2Ge4 compounds were derived. (C) 2003 Elsevier B.V. All rights reserved.
• Not Just Par for the Course: 73 Quaternary Germanides <i>RE</i>₄<i>M</i>₂<i>X</i>Ge₄ (<i>RE</i> = La–Nd, Sm, Gd–Tm, Lu; <i>M</i> = Mn–Ni; <i>X</i> = Ag, Cd) and the Search for Intermetallics with Low Thermal Conductivity
  作者：Dong Zhang、Anton O. Oliynyk、Gabriel M. Duarte、Abishek K. Iyer、Leila Ghadbeigi、Steven K. Kauwe、Taylor D. Sparks、Arthur Mar

  DOI：10.1021/acs.inorgchem.8b02279

  日期：2018.11.19

  total of 73 new quaternary rare-earth germanides RE4M2XGe4 (RE = rare-earth metal; M = Mn-Ni; X = Ag, Cd) were prepared through reactions of the elements. The solid solution Nd4Mn2Cd(Ge1-ySiy)(4) was also prepared under the same conditions and found to be complete over the entire range. All of these compounds adopt the monoclinic Ho4Ni2InGe4-type structure (space group C2/m, a = 14.2-16.7 angstrom, b = 4.0-4.6 angstrom, c = 6.8-7.5 angstrom, beta = 106-109 degrees), as revealed by powder X-ray diffraction analysis and single-crystal X-ray diffraction analysis on selected members. The structure determination of Nd-4(Mn0.78(1)Ag0.22(1))(2)Ag0.83(1)Ge4 disclosed disorder of Mn and Ag atoms within the tetrahedral site and Ag deficiencies within the square planar site. Within the solid solution Nd4Mn2Cd(Ge1-ySiy)(4), the end-members and two intermediate members were structurally characterized; as the Si content increases, the Cd sites become less deficient and the individual [Mn(2)Tt(2)] layers contract but become further apart from each other. Electronic band structure calculations confirm that the Ag-Ge or Cd-Ge bonds are the weakest in the structure and thus prone to distortion. Thermal property measurements confirm expectations from machine-learning predictions that these quaternary germanides should exhibit low thermal conductivity, which was found to be <10 W m(-1) for Nd4Mn2AgGe4.