Hafnium;ZINC | 12208-62-7

• 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
• 英文名称: Hafnium;ZINC
• 英文别名: hafnium;zinc
• CAS: 12208-62-7
• 化学式: HfZn₂
• 分子量: 309.27
• InChiKey: JXLCNVMZIFBUAK-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

• 作为产物：
  描述：

  锌 、 铪 、 magnesium 以 neat (no solvent, solid phase) 为溶剂， 生成 、 Hafnium;ZINC 、 hafnium;zinc 、
  参考文献：
  名称：

  Disordered Structures of the TM−Mg−Zn 1/1 Quasicrystal Approximants (TM = Hf, Zr, or Ti) and Chemical Intergrowth

  摘要：

  The structures of three quasicrystal approximant phases in the TM-Mg-Zn (TM = Hf, Zr, Ti) systems with the analyzed compositions Hf5Mg18Zn77, Zr5Mg18Zn77, and Ti5.5Mg17.5Zn77 have been synthesized, and their structures have been analyzed by single-crystal X-ray diffraction. The structure analyses revealed that these cubic phases with the space group Pm contain two different rhombic-triacontahedral clusters. These clusters are so-called Bergman-type atomic clusters and previously known approximants of face-centered icosahedral (F-type) quasicrystals are composed only of Mackay-type clusters, thus these compounds are seen as new prototype structures. Electron density maps calculated by the maximum entropy method (MEM) show that one of the atomic clusters displays characteristic structural disorder. The disorder in these phases is related to the chemical intergrowth of different Friauf polyhedra, and the prospects of new guide lines for finding quasicrystals composed of such polyhedra are discussed.

  DOI：

  10.1021/ic800874u

文献信息

• Disordered Structures of the TM−Mg−Zn 1/1 Quasicrystal Approximants (TM = Hf, Zr, or Ti) and Chemical Intergrowth
  作者：Cesar Pay Gómez、Satoshi Ohhashi、Akiji Yamamoto、An Pang Tsai

  DOI：10.1021/ic800874u

  日期：2008.9.15

  The structures of three quasicrystal approximant phases in the TM-Mg-Zn (TM = Hf, Zr, Ti) systems with the analyzed compositions Hf5Mg18Zn77, Zr5Mg18Zn77, and Ti5.5Mg17.5Zn77 have been synthesized, and their structures have been analyzed by single-crystal X-ray diffraction. The structure analyses revealed that these cubic phases with the space group Pm contain two different rhombic-triacontahedral clusters. These clusters are so-called Bergman-type atomic clusters and previously known approximants of face-centered icosahedral (F-type) quasicrystals are composed only of Mackay-type clusters, thus these compounds are seen as new prototype structures. Electron density maps calculated by the maximum entropy method (MEM) show that one of the atomic clusters displays characteristic structural disorder. The disorder in these phases is related to the chemical intergrowth of different Friauf polyhedra, and the prospects of new guide lines for finding quasicrystals composed of such polyhedra are discussed.