The structure of the low‐temperature polar (orthorhombic) phase of russellite (Bi₂WO₆) was examined on artificial specimens with precise single‐crystal X‐ray diffraction experiments. The final atomic arrangement thus obtained was identical to that reported by Knight [Miner. Mag. (1992), 56, 399–409] with powder neutron diffraction. The residual density attributable to a stereochemically‐active lone pair of electrons of bismuth was prominent at approximately the centre of a larger cap of BiO₈ square antiprisms, that is on the line from the Bi sites to an adjacent WO₄²⁻ slab along the b‐axis direction. Quite uneven Bi—O distances and the formation of a vacant coordination hemisphere (within 3 Å) should, therefore, be ascribed to the strong demand of bismuth to form shorter Bi—O bonds to use up its electrostatic charge within its coordination environment. The shift of bismuth along −c propagates via the correlated shift of the W site and these cooperative shifts cause ferroelectricity in the compound. This propagation was easily effected by the intrusion of molecules such as acetone into the structure.

中文翻译：

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球铁矿（Bi2WO6）的结构：铁电的起源以及立体活性孤对电子对结构的影响。

通过精确的单晶X射线衍射实验，在人造样品上检查了Russellite（Bi ₂ WO ₆）的低温极性（斜方晶）相的结构。如此获得的最终原子排列与Knight [ Miner.Med.Chem。，1997，6，5，5，5，6，5，6，6，7，6，7，6，6，7，6，9，6，7，6，9，6，6，9，6，6，6，9均]均报道的相同。MAG。（1992），56，399-409]用粉末中子衍射。铋的立体化学活性孤对电子所引起的残余密度在BiO ₈方形反棱镜大帽的中心附近突出，即沿Bi沿Bi位点到相邻的WO ₄ ^2-平板的线上。b轴方向。因此，相当不均匀的Bi-O距离和空余的配位半球（3Å以内）的形成应归因于铋的强烈要求，即形成较短的Bi-O键以在配位环境中耗尽其静电荷。-沿铋的移位Ç传播通过将W站点的相关位移和这些合作转变起因于铁电化合物。这种扩散很容易通过分子（例如丙酮）侵入结构来实现。