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一种具有层状结构的焦磷酸铁(II)铵,(NH(4))(2)[Fe(3)(P(2)O(7))(2)(H(2)O)(2)] 。

An ammonium iron(II) pyrophosphate, (NH(4))(2)[Fe(3)(P(2)O(7))(2)(H(2)O)(2)], with a layered structure.

作者信息

Liu Biao, Zhang Xin, Wen Lei, Sun Wei, Huang Ya-Xi

机构信息

Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005, Fujian Province, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):i5-i6. doi: 10.1107/S1600536811052482. Epub 2011 Dec 10.

Abstract

Diammonium diaquabis(phosphato)triferrate(II), (NH(4))(2)[Fe(3)(P(2)O(7))(2)(H(2)O)(2)], was synthesized under solvo-thermal conditions at 463 K. The crystal structure, isotypic to its Mn and Ni analogues, is built from iron pyrophosphate layers parallel to (100), which are linked by ammonium ions sitting in the inter-layer space via O-H⋯O and N-H⋯O hydrogen bonds. There are two crystallographic Fe sites in the crystal structure, one at a special position (2a, [Formula: see text]), the other at a general position (4e, 1). The former Fe atom on the inversion centre is coordinated by six O atoms, forming an FeO(6) octa-hedron, while the latter is coordinated by five phosphate O atoms and one water mol-ecule, forming an FeO(5)(H(2)O) octa-hedron. Each FeO(6) octa-hedron shares trans edges with two FeO(5)(H(2)O) octa-hedra, forming a linear trimeric unit. These trimers share the lateral edges of FeO(5)(H(2)O) with other trimers, forming a zigzag chain running along [010]. The zigzag chains are further linked by P(2)O(7) groups into a layered structure parallel to (100).

摘要

二水二(磷酸根)双(磷酸根)三铁(II)酸二铵,(NH(4))(2)[Fe(3)(P(2)O(7))(2)(H(2)O)(2)],是在463 K的溶剂热条件下合成的。其晶体结构与其锰和镍的类似物同型,由平行于(100)的焦磷酸铁层构成,这些层通过位于层间空间的铵离子经由O-H⋯O和N-H⋯O氢键相连。晶体结构中有两个晶体学上的铁位点,一个位于特殊位置(2a,[化学式:见原文]),另一个位于一般位置(4e,1)。位于对称中心的前一个铁原子由六个氧原子配位,形成一个FeO(6)八面体,而后一个铁原子由五个磷酸根氧原子和一个水分子配位,形成一个FeO(5)(H(2)O)八面体。每个FeO(6)八面体与两个FeO(5)(H(2)O)八面体共享反位边,形成一个线性三聚体单元。这些三聚体与其他三聚体共享FeO(5)(H(2)O)的侧边,形成一条沿[010]方向延伸的锯齿链。锯齿链进一步通过P(2)O(7)基团连接成平行于(100)的层状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d2f/3254271/54a08bffc74e/e-68-000i5-fig1.jpg

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