sodium vanadyl orthophosphate | 83201-61-0

• 英文名称: sodium vanadyl orthophosphate
• 英文别名: sodium vanadyl phosphate
• CAS: 83201-61-0
• 化学式: Na*OV*O₄P
• 分子量: 184.902
• InChiKey: BZPYHSRUPJQRBG-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -5.94
• 重原子数：
  8.0
• 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：
  103.32
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  以 neat (no solvent) 为溶剂， 生成 sodium vanadyl orthophosphate
  参考文献：
  名称：

  Na2 [（VO）2（HPO4）2C2O4] .2H2O：由粉末衍射和固态NMR结合确定晶体结构。

  摘要：

  通过水热处理合成了氧杂草酸钒氧钒Na2 [（VO）2（HPO4）2C2O4] .2H2O。它的结构已经通过结合X射线粉末衍射和固态NMR技术进行了测定和改进。它在空间组P2（1）中以单斜晶对称结晶，a = 6.3534（1）A，b = 17.1614（3）A，c = 6.5632（1）A，beta = 106.597（1）度。该结构与先前报道的（NH4）2 [（VO）2（HPO4）2C2O4] .5H2O的结构有关。磷酸钒骨架由角共享钒八面体和磷酸氢四面体的无限[（VO）（HPO4）]链组成。草酸酯基团确保链之间的连接以形成2D结构。钠离子和水分子位于阴离子[（VO）2（HPO4）2C2O4] 2-层之间。已经通过与温度有关的X射线衍射和热重分析法原位研究了热分解。它分为三个阶段，前两个阶段分别是除水，最后一个阶段是草酸盐基团的分解和除水，最终生成NaVOPO4。

  DOI：

  10.1021/ic060483t

文献信息

• Structural transformations in the Na4+xVO(PO4)2 vanadylphosphates
  作者：Roman V. Shpanchenko、Evgeny V. Dikarev、Andrey V. Mironov、Svetlana N. Mudretsova、Evgeny V. Antipov

  DOI：10.1016/j.jssc.2006.05.013

  日期：2006.8

  atoms have almost regular octahedral coordination with six close V–O separations and all chains in the structure are equivalent. The crystal structure of γ-Na4VO(PO4)2 contains two non-equivalent chain types: the first one is similar to that found in Na4.35VO(PO4)2 whereas the second one contains VO6 octahedra with the short vanadyl bonds. The charge re-distribution was supposed in the new γ-modification

  新钒酸磷酸钠Na 4.35 VO（PO 4）2（a = 15.4450（11）Å ，b = 14.7690（10）Å ，c = 6.9870（5）Å ，Z = 8Z = 8 ，SG Ibam）的晶体结构，以及新的（γ-）Na 4 VO（PO 4）2修饰（a = 15.4455（15）Å ，b = 14.8433（10）Å ，c = 7.0081（5）Å ，Z = 8Z = 8 ，SG Pbc已经通过X射线单晶衍射研究了2 1）。两种结构均包含角共享VO 6的孤立无限链八面体。链中的八面体还通过四面体PO 4基团彼此连接。钠原子位于链之间的位置。取决于合成条件，Na 4+ x VO（PO 4）2化合物的晶胞中的钠原子数可能会变化，从而导致钒原子的氧化态改变和它们的配位环境改变。在Na 4.35 VO（PO 4）2中，钒原子具有几乎规则的八面体配位，具有六个紧密的V–O间隔，并且结构中的所有链都是等效的。γ-
• Exploration of NaVOPO4 as a cathode for a Na-ion battery
  作者：Jie Song、Maowen Xu、Long Wang、John B. Goodenough

  DOI：10.1039/c3cc42172d

  日期：——

  Monoclinic NaVOPO4 is explored as a cathode material for a sodium ion battery. It exhibits electrochemical activity operating at an average potential of 3.6 V (vs. Na+/Na) and delivers a reversible capacity of 90 mA h g−1 at 1/15 C.

  单斜 NaVOPO4 被探索用作钠离子电池的阴极材料。它在平均电位为 3.6 V（相对于 Na+/Na）时表现出电化学活性，并在 1/15 C 下提供 90 mA h g-1 的可逆容量。
• The Na/V/P/N(C2H5)3/H2O system at 473 K and the new open framework structure of the vanadium phosphate phase Nav[((V4?w4+V1+w5+) O9)(PO4)2] � (PO4)x � (OH)y � z H2O (with v = 2.8 to 4.0, w = ?0.1 to 1.1, x = 0 to 0.2, y = 0 to 2.1, and z = 7 to 10)
  作者：Michael Schindler、Werner Joswig、Werner H. Baur

  DOI：10.1002/zaac.19976230108

  日期：——

  AbstractAn examination of the Na/V/P/N(C2H5)3/H2O system at 473 K under hydrothermal conditions yields several different phases in the pH range of 2.65 to 12. At low pH values a NaV4+OPO4 phase was obtained. In the weakly acid, neutral or low basic pH ranges the Nav[((VV) O9)(PO4)2] · (PO4)x · (OH)y · zH2O (or FVP‐1 for short) phase was found (with v = 2.8 to 4.0, w = −0.1 to 1.1, x = 0 to 0.2, y = 0 to 2.1 and z = 7 to 10). Its crystal structure was solved in space group Im3m with a = 16.025 Å. It contains VV5+O9(PO4)2 groups in which the vanadium atoms have a square pyramidal coordination of oxygen atoms in the shape of a spiked helmet, where the spike is the vanadyl group of the central V5+ coordination polyhedron. These groups are statistically arranged around a mirror plane yielding an V10/2O18/2(PO4)2 grouping and connect to form an open porous framework by bridging via the phosphate groups following the topology of the NbO type net. The framework has a mean free channel diameter of about 4.1 Å and a density of 10.2 vanadium and phosphorus polyhedra per 1000 Å3. This makes it, together with two other recently found related frameworks, the most open microporous framework described so far. No aluminosilicates or aluminophosphates of similar openness are known. In air the FVP‐1 phase does not collapse when heated to 523 K, in vacuum it remains stable to 623 K. It dehydrates and rehydrates reversibly. Redox titrations of 19 samples show that the V4+/V5+ ratios vary from 4.1(2)/0.9(2) to 2.9(2)/2.1(2). Syntheses using V2O5 as a source of vanadium yield samples with lower V4+/V5+ ratios than those based on VOSO4. The fact that FVP‐1 displays disorder makes the compound possibly interesting for potential catalytic applications.