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Structure of pyrrhotite 5C (Fe_9S_(10))

机译:硫铁矿5C(Fe_9S_(10))的结构

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摘要

The distribution of vacancies throughout the underlying NiAs structure of pyrrhotite 5C was analysed through the application of vacancy avoidance and the closeness condition in conjunction with order-disorder layering. Two crystallographically equivalent structure solutions (chiral enantiomers) were produced consisting of layers containing one vacancy in every eight iron sites broken by a fully occupied layer every fifth iron layer, and best described by monoclinic statistical models. The statistical 5C structures were verified using synchrotron powder diffraction data as well as published electron-diffraction patterns. An order-disorder structure description is proposed for the intermediate pyrrhotites of which pyrrhotite 5C is an end-member.
机译:通过避免空位和紧密度条件以及有序无序分层,分析了黄铁矿5C底层NiAs结构中空位的分布。产生了两种晶体学上等效的结构溶液(手性对映异构体),该溶液由每八个铁位点包含一个空位的层组成,每五个铁层被一个完全占据的层打破,并且最好由单斜统计模型描述。统计5C结构使用同步加速器粉末衍射数据以及已发布的电子衍射图进行了验证。提出了以黄铁矿5C为末端成员的中间黄铁矿的无序结构描述。

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