Ouaatta Said, Assani Abderrazzak, Saadi Mohamed, El Ammari Lahcen
Laboratoire de Chimie du Solide Appliquée, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat, Morocco.
Acta Crystallogr E Crystallogr Commun. 2017 May 26;73(Pt 6):893-895. doi: 10.1107/S2056989017007411. eCollection 2017 Jun 1.
The title compound, CaNiFe(PO), was synthesized by solid-state reactions. Its structure is closely related to that of α-CrPO in the space group . Except for two O atoms in general positions, all atoms are located in special positions. The three-dimensional framework is built up from two types of sheets extending parallel to (100). The first sheet is made up from two edge-sharing [NiO] octa-hedra, leading to the formation of [NiO] double octa-hedra that are connected to two PO tetra-hedra through a common edge and corners. The second sheet results from rows of corner-sharing [FeO] octa-hedra and PO tetra-hedra forming an infinite linear chain. These layers are linked together through common corners of PO tetra-hedra and [FeO] octa-hedra, resulting in an open three-dimensional framework that delimits two types of channels parallel to [100] and [010] in which the eightfold-coordinated Ca cations are located.
标题化合物CaNiFe(PO)通过固相反应合成。其结构与空间群中的α-CrPO密切相关。除了处于一般位置的两个O原子外，所有原子都位于特殊位置。三维骨架由两种平行于(100)延伸的片层构成。第一种片层由两个共边的[NiO]八面体组成，形成了[NiO]双八面体，它们通过一条公共边和角与两个PO四面体相连。第二种片层由成排的共角[FeO]八面体和PO四面体形成无限线性链构成。这些层通过PO四面体和[FeO]八面体的公共角连接在一起，形成一个开放的三维骨架，界定了两种平行于[100]和[010]的通道，八配位的Ca阳离子位于其中。
