Materials Data on ZnHgS2 by Materials Project

HgZnS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Hg2+ is bonded to four S2- atoms to form HgS4 tetrahedra that share corners with six equivalent HgS4 tetrahedra and corners with six equivalent ZnS4 tetrahedra. All Hg–S bond lengths are 2.56 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with six equivalent HgS4 tetrahedra and corners with six equivalent ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.43 Å) Zn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Hg2+ and three equivalent Zn2+ atoms to form corner-sharing SZn3Hg tetrahedra. In the second S2- site, S2- is bonded to three equivalent Hg2+ and one Zn2+ atom to form corner-sharing SZnHg3 tetrahedra.

HgZnS₂为类硫砷铜矿（Enargite）结构，结晶于三方晶系R3m空间群。其晶体结构为三维结构。Hg²+与四个S²-离子配位，形成HgS₄四面体，该四面体分别与六个等价的HgS₄四面体及六个等价的ZnS₄四面体共用顶点相连。所有Hg-S键的键长均为2.56 Å（埃）。Zn²+与四个S²-离子配位，形成ZnS₄四面体，该四面体分别与六个等价的HgS₄四面体及六个等价的ZnS₄四面体共用顶点相连。Zn-S键的键长分为一组较短的2.35 Å与三组较长的2.43 Å。体系中存在两种不等价的S²-离子位点：在第一种S²-离子位点中，S²-与一个Hg²+及三个等价的Zn²+配位，形成顶点共享的SZn₃Hg四面体；在第二种S²-离子位点中，S²-与三个等价的Hg²+及一个Zn²+配位，形成顶点共享的SZnHg₃四面体。