zinc-barium

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: zinc-barium
• 化学式: BaZn
• 分子量: 202.72
• InChiKey: RVUWHILVZRCESM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.92
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  锌 、 barium 生成 zinc-barium
  参考文献：
  名称：

  The system Ba–Zn–Sn at 500 °C: Phase equilibria, crystal and electronic structure of ternary phases

  摘要：

  Phase relations for the Ba-poor part of the ternary system Ba-Zn-Sn at 500 degrees C were established by electron probe microanalysis (EPMA) and X-ray powder diffraction (XPD). Besides the already known compounds BaZnSn (ZrBeSi type) and BaZn2Sn2 (CaBe2Ge2 type), a novel ternary compound BaZnSn2 was found to crystallize with the CeNiSi2-type. The precise determination (EPMA) of the homogeneity region at 500 degrees C for the compound BaZn1-xSn1+x with the ZrBeSi type (0.22 <= x <= 0.35) excludes the stoichiometric composition. The stannide BaZn2-xSn2+x (x = 0.05) is characterized by mixed occupancy of Zn and Sn atoms in the 2c site; accordingly the composition is slightly shifted from stoichiometry 1:2:2. Structural effects in the Ba-Zn-Sn compounds were explained on the basis of crystal chemistry analyses and electronic structure calculations employing the electron localization function ELF. The solubility of Sn in the clathrate phase Ba8Zn7Si39 was found to be insignificant (around 1 at.%; 800 degrees C). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jallcom.2013.09.041

文献信息

• The“Submetalate” Ba17Al3O7: The First Member of a New Class of Compounds
  作者：Caroline Röhr、Rita George

  DOI：10.1002/anie.199521151

  日期：1995.10.16
• The system Ba–Zn–Sn at 500 °C: Phase equilibria, crystal and electronic structure of ternary phases
  作者：V.V. Romaka、M. Falmbigl、A. Grytsiv、P. Rogl

  DOI：10.1016/j.jallcom.2013.09.041

  日期：2014.2

  Phase relations for the Ba-poor part of the ternary system Ba-Zn-Sn at 500 degrees C were established by electron probe microanalysis (EPMA) and X-ray powder diffraction (XPD). Besides the already known compounds BaZnSn (ZrBeSi type) and BaZn2Sn2 (CaBe2Ge2 type), a novel ternary compound BaZnSn2 was found to crystallize with the CeNiSi2-type. The precise determination (EPMA) of the homogeneity region at 500 degrees C for the compound BaZn1-xSn1+x with the ZrBeSi type (0.22 <= x <= 0.35) excludes the stoichiometric composition. The stannide BaZn2-xSn2+x (x = 0.05) is characterized by mixed occupancy of Zn and Sn atoms in the 2c site; accordingly the composition is slightly shifted from stoichiometry 1:2:2. Structural effects in the Ba-Zn-Sn compounds were explained on the basis of crystal chemistry analyses and electronic structure calculations employing the electron localization function ELF. The solubility of Sn in the clathrate phase Ba8Zn7Si39 was found to be insignificant (around 1 at.%; 800 degrees C). (C) 2013 Elsevier B.V. All rights reserved.