Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2.
Dalton Trans. 2010 Aug 14;39(30):7132-5. doi: 10.1039/c0dt00304b. Epub 2010 Jun 14.
In confirmation of its predicted existence in the Sr-Hg phase diagram, the mercury-rich intermetallic compound SrHg(8) has been prepared by reaction of the elements at 200 degrees C. Single-crystal X-ray diffraction analysis revealed that it adopts a new structure type (Pearson symbol oP72, space group Pnma, a = 13.328(1) A, b = 4.9128(5) A, c = 26.446(3) A). The Sr atoms are centred within two types of 18-vertex Hg polyhedra formed by augmenting pentagonal prisms with octagonal waists. The condensation of these Sr@Hg(18) clusters is associated with the formation of a complex anionic Hg-Hg bonding network, as supported by electronic structure calculations which reveal strong mixing of Hg 6s and 6p states in highly delocalized bands superimposed with a narrower 5d band below the Fermi level.
在 Sr-Hg 相图中证实其存在后，通过在 200°C 下元素反应制备了富汞的金属间化合物 SrHg(8)。单晶 X 射线衍射分析表明，它采用了一种新的结构类型（Pearson 符号 oP72，空间群 Pnma，a=13.328(1)A，b=4.9128(5)A，c=26.446(3)A）。Sr 原子位于由五角棱柱与八边腰部组成的两种 18 顶点 Hg 多面体的中心。这些 Sr@Hg(18)簇的凝聚与复杂的阴离子 Hg-Hg 键网络的形成有关，电子结构计算支持了这一点，计算表明 Hg 6s 和 6p 态在高度离域的能带中强烈混合，同时在费米能级以下存在较窄的 5d 带。
