Materials Data on Al2HgS4 by Materials Project

HgAl2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with twelve equivalent AlS6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Hg–S bond lengths are 2.53 Å. Al3+ is bonded to six equivalent S2- atoms to form AlS6 octahedra that share corners with six equivalent HgS4 tetrahedra and edges with six equivalent AlS6 octahedra. All Al–S bond lengths are 2.45 Å. S2- is bonded to one Hg2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SAl3Hg tetrahedra.

HgAl₂S₄具有尖晶石结构，结晶于立方晶系Fd-3m空间群。该结构为三维结构：Hg²+与四个等价的S²-原子键合形成HgS₄四面体，这些四面体与十二个等价的AlS₆八面体共享顶点，共享顶点的八面体倾斜角为60°，所有Hg–S键长均为2.53 Å；Al³+与六个等价的S²-原子键合形成AlS₆八面体，这些八面体与六个等价的HgS₄四面体共享顶点，并与六个等价的AlS₆八面体共享边，所有Al–S键长均为2.45 Å；S²-与一个Hg²+和三个等价的Al³+原子键合，形成扭曲的共享顶点与共享边的SAl₃Hg四面体混合结构。