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针镍矿反常的配位数及配位距离使其在矿物学和结构化学方面引起了人们的重视。我们从高分辨的X射线衍射数据得到了它的实验电子密度的分布。从Ni,S原子孤对电子的分布以及它们明显地远离Ni和S的核表明在Ni和S之间是多重的配键,而在Ni和Ni之间是通常的配价键。这个结论与针镍矿中Ni和S的反常配位数、配位多面体的型式、原子间的键距以及它的部分金属特性等是完全符合的。
The anomalous coordination number and coordination distance of nickelite have drawn people’s attention in mineralogy and structural chemistry. We obtained the distribution of its experimental electron density from high-resolution X-ray diffraction data. The distribution of lone pairs of electrons from Ni, S atoms and their distinct nuclei away from Ni and S indicate multiple bond between Ni and S, and a common valence bond between Ni and Ni. This conclusion is completely consistent with the anomalous coordination number of Ni and S, the type of coordination polyhedron, the bond distance between atoms and some of its metallic properties in the Ni-Ni ore.