lithium molybdyl arsenate LiMoO2(AsO4), β | 12588-79-3

• 英文名称: lithium molybdyl arsenate LiMoO2(AsO4), β
• 英文别名: lithium molybdyl arsenate
• CAS: 12588-79-3
• 化学式: AsO₄*Li*MoO₂
• 分子量: 273.799
• InChiKey: XVAVBVTWQGCFPV-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -7.3
• 重原子数：
  9.0
• 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：
  120.39
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  砷酸二氢铵 、 molybdic acid 、 lithium carbonate 以 melt 为溶剂， 生成 lithium molybdyl arsenate LiMoO2(AsO4), β
  参考文献：
  名称：

  β-LiMoO₂(AsO₄)

  摘要：

  A new non-centrosymmetrical form of lithium molybdyl arsenate has been synthesized and grown as a single crystal. The structure of beta-LiMoO2(AsO4) is built up of corner-sharing AsO4 tetrahedra and MoO6 octahedra which form a three-dimensional framework containing tunnels running along the a axis, wherein the Li+ cations are located. This novel structure is compared with the compound LiMoO2(AsO4) of the same formula, and with those of AMO(2)(XO4) (A is Na, K, Rb or Pb, M is Mo or V, and X is P or As) and B(MoO2)(2)(XO4)(2) (B is Ba, Pb or Sr).

  DOI：

  10.1107/s0108270104013162