Redetermination of the crystal structure of NbF4

Bandemehr J.; Conrad M.; Kraus F.

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Redetermination of the crystal structure of NbF4

机译：重新确定NbF4的晶体结构

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Single crystals of NbF4, niobium(IV) tetra-fluoride, were synthesized by disproportionation of Nb2F5 at 1273?K in a sealed niobium tube, extracted and studied by single-crystal X-ray diffraction. Previous reports on the crystal structure of NbF4 were based on X-ray powder diffraction data and the observed isotypicity to SnF4 [Gortsema & Didchenko (1965). Inorg. Chem. 4, 182–186; Sch?fer et al. (1965). J. Less Common Met. 9, 95–104]. The data obtained from a single-crystal X-ray diffraction study meant the atomic coordinates could now be refined as well as their anisotropic displacement parameters, leading to a significant improvement of the structural model of NbF4. In the structure, the Nb atom is octahedron-like surrounded by six F atoms of which four are bridging to other NbF6 octa-hedra, leading to a layer structure extending parallel to the ab plane.

机译：通过在密封的铌管中于1273？K下歧化Nb2F5来合成NbF4单晶四氟化铌（IV），并通过单晶X射线衍射对其进行提取和研究。以前有关NbF4晶体结构的报道是基于X射线粉末衍射数据和对SnF4观察到的同型性[Gortsema＆Didchenko（1965）。 Inorg。化学4，182–186; Sch？fer等。（1965）。 J.少见的大都会。 9，95–104]。从单晶X射线衍射研究获得的数据意味着现在可以改进原子坐标及其各向异性位移参数，从而大大改善了NbF4的结构模型。在该结构中，Nb原子呈八面体状，被六个F原子包围，其中四个正与另一个NbF6八面体桥接，从而形成平行于ab平面延伸的层结构。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2016年第8期|共3页
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Bandemehr J.; Conrad M.; Kraus F.;
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Redetermination of the crystal structure of NbF4

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