A NEW LEAD STRONTIUM FERRATE(III) - THE CRYSTAL STRUCTURE OF THE PHASE PB4SR2FE6O15 [German]

Raynovaschwarten V.; Babel D.; Massa W.

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A NEW LEAD STRONTIUM FERRATE(III) - THE CRYSTAL STRUCTURE OF THE PHASE PB4SR2FE6O15 [German]

机译：一种新的铅高铁锶（III）-PB4SR2FE6O15相的晶体结构[德语]

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At orthorhombic single crystals of Pb4Sr2Fe6O15 (a = 568.73(8), b = 392.03(4), c = 2107.5(3) pm; Z = 4/3, space group Pnma) a X-ray structure determination has been performed (R-1 = 0,036 for 488 ''observed'' resp. wR(2) = 0,073 for all 643 independent reflexions). It revealed a framework of polyhedra related to perovskite, in which chains of edge sharing pyramids [FeO5] (average Fe1-O: 197 pm; Fe1-Fe1: 305.5 pm) are linked via apices with corner-sharing [FeO6] octahedra (Fe2-O: 201 pm). 12-fold, strongly distorted cuboctahedrally coordinated ''perovskite positions'' show mixed occupancy by 2/3 Sr + 1/3 Pb (= Sr2; Sr2-O: 287 pm). More spacy channels, running parallel to the chains of pyramids along [010] of the structure, contain lead atoms only. The double occupancy of the corresponding cages results in short distances Pb1-Pb1 (355.9 pm) and Pb1-Fe2 (314.4 pm), as well as in a very asymmetric [PbO6] coordination (Pb1-O: 253 pm), in the opposite hemisphere of which the lone electron pair s(2) is supposed to be located. Details are communicated and structural relations discussed. [References: 34]

机译：在Pb4Sr2Fe6O15的正交晶体中（a = 568.73（8），b = 392.03（4），c = 2107.5（3）pm; Z = 4/3，空间群Pnma）已进行了X射线结构测定（R对于488个``观察到的''响应，-1 = 0,036。对于所有643个独立反射，wR（2）= 0,073）。它揭示了与钙钛矿有关的多面体框架，其中边缘共享金字塔[FeO5]（平均Fe1-O：197 pm; Fe1-Fe1：305.5 pm）的链通过顶点与角共享[FeO6]八面体（Fe2 -O：201 pm）。 12倍，强烈畸变的立方八面体协调的``钙钛矿位置''显示出2/3 Sr + 1/3 Pb（= Sr2; Sr2-O：287 pm）的混合占有率。沿着结构[010]平行于金字塔链延伸的更多杂散通道仅包含铅原子。相反，对应笼子的两次占用会导致Pb1-Pb1（355.9 pm）和Pb1-Fe2（314.4 pm）短距离，以及非常不对称的[PbO6]配位（Pb1-O：253 pm）。假定存在一个孤立电子对s（2）的半球。沟通细节并讨论结构关系。 [参考：34]

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《Zeitschrift fur Anorganische und Allgemeine Chemie》 |1997年第7期|共7页
作者
Raynovaschwarten V.; Babel D.; Massa W.;
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中图分类化学;
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Structure determination; feo5 square pyramide; Asymmetric pbo6 coordination; Lone pair effect; Perovskite relation; Oxides; Diffraction; Distances; Chemistry;

机译：结构测定;[feo5]方形金字塔;不对称[pbo6]配位;孤对效应;钙钛矿关系;氧化物;衍射;距离;化学;

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A NEW LEAD STRONTIUM FERRATE(III) - THE CRYSTAL STRUCTURE OF THE PHASE PB4SR2FE6O15 [German]

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