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首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >Sodium manganese fluorosulfate with a triplite structure
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Sodium manganese fluorosulfate with a triplite structure

机译：具有三重结构的氟硫酸锰钠

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摘要

The crystal structure of the NaMnS04F fluorosulfate phase prepared by low-temperature solid-state synthesis has been solved and refined by the Rietveld analysis of synchrotron X- ray powder diffraction data. Isostructural to the naturally occurring triplite family of minerals, this compound crystallizes in monoclinic C2/c symmetry (No. 15) with unit-cell parameters of a = 13.77027 (17), b = 6.63687 (8),c = 10.35113 (14)?, β=121.4795 (3)° and V = 806.78 (2) ?~3. Its structure is built of edge-sharing chains of distorted M04F2 octahedra,which are interconnected by constituent S04 tetrahedra to form a robust three-dimensional polyanionic framework. MO_4F_2 octahedra are randomly occupied by Na and Mn with close to 1:1 occupancy. This random mixing of cations among polyhedral building blocks means that there are no channels for Na-ion conduction, rendering it electro- chemically inactive. The structure is discussed and compared with other known alkali metal fluorosulfates as well as to naturally occurring triplite-type minerals.
机译：通过同步加速器X射线粉末衍射数据的Rietveld分析，可以解决和改进通过低温固态合成制备的NaMnSO4F氟硫酸盐相的晶体结构。该化合物与天然的三重矿物家族结构相同，以单斜晶C2 / c对称性（第15号）结晶，其晶胞参数为a = 13.77027（17），b = 6.63687（8），c = 10.35113（14） α，β＝ 121.4795（3）°，V ＝ 806.78（2）α〜3。它的结构是由扭曲的M04F2八面体的边共享链构建的，它们通过成分SO4四面体相互连接以形成坚固的三维聚阴离子骨架。 MO_4F_2八面体被Na和Mn随机占据，占有率接近1：1。多面体结构单元之间阳离子的这种随机混合意味着没有Na离子传导通道，从而使其呈化学惰性。讨论了该结构并将其与其他已知的碱金属氟硫酸盐以及天然存在的三重铁矿型矿物进行比较。

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